Crystallography Open Database

Information card for entry 2000494

2000493 << 2000494 >> 2000495

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Coordinates	2000494.cif
Original IUCr paper	HTML

Structure parameters

Formula	C15 H22 O5
Calculated formula	C15 H22 O5
SMILES	O1[C@@H]2CC[C@@H](OC(=O)C)[C@]3([C@]12CC1(OCCO1)CC3)C.O1[C@H]2CC[C@H](OC(=O)C)[C@@]3([C@@]12CC1(OCCO1)CC3)C
Title of publication	Structure of an intermediate in the synthesis of corymbolone
Authors of publication	Castellano, E. E.; Zukerman-Schpector, J.; Ferraz, H. M. C.; de Souza, A. J. C.; Tenius, B. S. M.
Journal of publication	Acta Crystallographica Section C
Year of publication	1992
Journal volume	48
Journal issue	11
Pages of publication	2080 - 2082
a	10.046 ± 0.002 Å
b	12.365 ± 0.002 Å
c	12.065 ± 0.002 Å
α	90°
β	111.6 ± 0.02°
γ	90°
Cell volume	1393.5 ± 0.5 Å³
Cell temperature	292 K
Number of distinct elements	3
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.055
Weighted residual factors for significantly intense reflections	0.062
Goodness-of-fit parameter for significantly intense reflections	1.3
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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