Crystallography Open Database

Information card for entry 2002051

2002050 << 2002051 >> 2002052

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Coordinates	Coordinates are not available: file is not found.
Original IUCr paper	HTML

Structure parameters

Formula	C21 H28 O4
Calculated formula	C21 H28 O4
SMILES	O=C1CC[C@@]2(C(=C1)C[C@@H]([C@H]1[C@H]2CC[C@@]2([C@]1(O)CC=C2C(=O)C)C)O)C
Title of publication	Structure of pregna-4,16-diene-7α,14α-diol-3,20-dione
Authors of publication	Dastidar, P.; Joseph, T.; Madyastha, K. M.; Guru Row, T. N.
Journal of publication	Acta Crystallographica Section C
Year of publication	1993
Journal volume	49
Journal issue	1
Pages of publication	62 - 64
a	7.136 ± 0.001 Å
b	12.342 ± 0.001 Å
c	20.049 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1765.8 ± 0.4 Å³
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	Cu
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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