MOLECULAR STRUCTURE OF (?)-3-METHOXY-6-OXA-8-ISOESTRA-1,3,5(10)-TRIEN-17?-OL ACETATE

G.L. Starova, S.B. Tsogoeva, A.G. Shavva

Результат исследований: Научные публикации в периодических изданияхстатья

Выдержка

The molecular structure of (?)-3-methoxy-6-oxa-8-isoestra-1,3,5(10)-trien-17?-ol acetate C20H26O4 is determined by X-ray structure analysis: sp. gr. P1; a = 8.347(2), b = 9.821(2), c = 12.355(2) ?; ? = 108.08(2)?, ? = 97.79(2)?, and ? = 109.55(2)?; Z = 2; dcalc = 1.255(1) g/cm3; and Rw = 0.063 for 1756 non-zero unique reflections with I > 4?(I). It is shown that substitution of the oxygen atom for the 6-CH2 group results in the shortening of the C(5)-O(6) bond length to 1.37 ?, whereas the O(6)-C(7) distance (1.44 ?) corresponds to the normal C-O bond length (1.43 ?). This substitution changes the geometry of the B ring relative to that observed in carbon analogues, thus giving rise to a significant strain in the ring.
Язык оригиналаанглийский
Страницы (с-по)31-33
ЖурналCrystallography Reports
Номер выпуска1
СостояниеОпубликовано - 1998
Опубликовано для внешнего пользованияДа

Отпечаток

Trientine
Bond length
Molecular structure
acetates
Acetates
Substitution reactions
molecular structure
substitutes
rings
oxygen atoms
Carbon
analogs
Oxygen
X rays
Atoms
Geometry
carbon
geometry
x rays
Asp(5)-oxytocin

Цитировать

Starova, G. L., Tsogoeva, S. B., & Shavva, A. G. (1998). MOLECULAR STRUCTURE OF (?)-3-METHOXY-6-OXA-8-ISOESTRA-1,3,5(10)-TRIEN-17?-OL ACETATE. Crystallography Reports, (1), 31-33.
Starova, G.L. ; Tsogoeva, S.B. ; Shavva, A.G. / MOLECULAR STRUCTURE OF (?)-3-METHOXY-6-OXA-8-ISOESTRA-1,3,5(10)-TRIEN-17?-OL ACETATE. В: Crystallography Reports. 1998 ; № 1. стр. 31-33.
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title = "MOLECULAR STRUCTURE OF (?)-3-METHOXY-6-OXA-8-ISOESTRA-1,3,5(10)-TRIEN-17?-OL ACETATE",
abstract = "The molecular structure of (?)-3-methoxy-6-oxa-8-isoestra-1,3,5(10)-trien-17?-ol acetate C20H26O4 is determined by X-ray structure analysis: sp. gr. P1; a = 8.347(2), b = 9.821(2), c = 12.355(2) ?; ? = 108.08(2)?, ? = 97.79(2)?, and ? = 109.55(2)?; Z = 2; dcalc = 1.255(1) g/cm3; and Rw = 0.063 for 1756 non-zero unique reflections with I > 4?(I). It is shown that substitution of the oxygen atom for the 6-CH2 group results in the shortening of the C(5)-O(6) bond length to 1.37 ?, whereas the O(6)-C(7) distance (1.44 ?) corresponds to the normal C-O bond length (1.43 ?). This substitution changes the geometry of the B ring relative to that observed in carbon analogues, thus giving rise to a significant strain in the ring.",
author = "G.L. Starova and S.B. Tsogoeva and A.G. Shavva",
year = "1998",
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journal = "Crystallography Reports",
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Starova, GL, Tsogoeva, SB & Shavva, AG 1998, 'MOLECULAR STRUCTURE OF (?)-3-METHOXY-6-OXA-8-ISOESTRA-1,3,5(10)-TRIEN-17?-OL ACETATE', Crystallography Reports, № 1, стр. 31-33.

MOLECULAR STRUCTURE OF (?)-3-METHOXY-6-OXA-8-ISOESTRA-1,3,5(10)-TRIEN-17?-OL ACETATE. / Starova, G.L.; Tsogoeva, S.B.; Shavva, A.G.

В: Crystallography Reports, № 1, 1998, стр. 31-33.

Результат исследований: Научные публикации в периодических изданияхстатья

TY - JOUR

T1 - MOLECULAR STRUCTURE OF (?)-3-METHOXY-6-OXA-8-ISOESTRA-1,3,5(10)-TRIEN-17?-OL ACETATE

AU - Starova, G.L.

AU - Tsogoeva, S.B.

AU - Shavva, A.G.

PY - 1998

Y1 - 1998

N2 - The molecular structure of (?)-3-methoxy-6-oxa-8-isoestra-1,3,5(10)-trien-17?-ol acetate C20H26O4 is determined by X-ray structure analysis: sp. gr. P1; a = 8.347(2), b = 9.821(2), c = 12.355(2) ?; ? = 108.08(2)?, ? = 97.79(2)?, and ? = 109.55(2)?; Z = 2; dcalc = 1.255(1) g/cm3; and Rw = 0.063 for 1756 non-zero unique reflections with I > 4?(I). It is shown that substitution of the oxygen atom for the 6-CH2 group results in the shortening of the C(5)-O(6) bond length to 1.37 ?, whereas the O(6)-C(7) distance (1.44 ?) corresponds to the normal C-O bond length (1.43 ?). This substitution changes the geometry of the B ring relative to that observed in carbon analogues, thus giving rise to a significant strain in the ring.

AB - The molecular structure of (?)-3-methoxy-6-oxa-8-isoestra-1,3,5(10)-trien-17?-ol acetate C20H26O4 is determined by X-ray structure analysis: sp. gr. P1; a = 8.347(2), b = 9.821(2), c = 12.355(2) ?; ? = 108.08(2)?, ? = 97.79(2)?, and ? = 109.55(2)?; Z = 2; dcalc = 1.255(1) g/cm3; and Rw = 0.063 for 1756 non-zero unique reflections with I > 4?(I). It is shown that substitution of the oxygen atom for the 6-CH2 group results in the shortening of the C(5)-O(6) bond length to 1.37 ?, whereas the O(6)-C(7) distance (1.44 ?) corresponds to the normal C-O bond length (1.43 ?). This substitution changes the geometry of the B ring relative to that observed in carbon analogues, thus giving rise to a significant strain in the ring.

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JO - Crystallography Reports

JF - Crystallography Reports

SN - 1063-7745

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