Crystallography Open Database

Information card for entry 1502807

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Structure parameters

Formula	C17 H20 O6
Calculated formula	C17 H20 O6
SMILES	C1[C@H](C[C@]2(CCC(=O)C=C2O1)O)c1c(c(c(cc1)OC)OC)O
Title of publication	Flavonoids in the poisonous plant Oxytropis falcata.
Authors of publication	Chen, Wen-Hao; Wang, Rui; Shi, Yan-Ping
Journal of publication	Journal of natural products
Year of publication	2010
Journal volume	73
Journal issue	8
Pages of publication	1398 - 1403
a	9.5608 ± 0.0014 Å
b	9.5608 ± 0.0014 Å
c	14.687 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	1162.7 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	145
Hermann-Mauguin space group symbol	P 32
Hall space group symbol	P 32
Residual factor for all reflections	0.0522
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.0768
Weighted residual factors for all reflections included in the refinement	0.0849
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
201954 (current)	2017-10-13	cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	1502807.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1502807.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1502807.cif
36766	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1502807 via cif-deposit CGI script.	1502807.cif