Crystallography Open Database

Information card for entry 2008323

2008322 << 2008323 >> 2008324

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Coordinates	2008323.cif
Original IUCr paper	HTML

Structure parameters

Common name	Diosbulbin-B
Formula	C19 H20 O6
Calculated formula	C19 H20 O6
SMILES	O1[C@@H]2C[C@@H]3[C@@H]([C@@H](C2)C1=O)[C@H]1OC(=O)[C@]2(O[C@H](C[C@@]32C)c2ccoc2)C1
Title of publication	Diosbulbin B, a constituent of <i>Dioscorea pentaphylla</i>
Authors of publication	Singh, Amarjit; Parmar, Virinder S.; Errington, William; Howarth, Oliver W.; Lawrie, Stephen
Journal of publication	Acta Crystallographica Section C
Year of publication	1999
Journal volume	55
Journal issue	4
Pages of publication	559 - 561
a	8.915 ± 0.004 Å
b	10.623 ± 0.004 Å
c	17.243 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	1633 ± 1.1 Å³
Cell temperature	190 ± 2 K
Ambient diffraction temperature	190 ± 2 K
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
Residual factor for all reflections	0.064
Residual factor for significantly intense reflections	0.044
Weighted residual factors for all reflections included in the refinement	0.097
Goodness-of-fit parameter for all reflections included in the refinement	1.106
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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