Crystallography Open Database

Information card for entry 1505806

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Structure parameters

Formula	C22 H20 O6
Calculated formula	C22 H20 O6
SMILES	O[C@H]([C@H]1OC(=O)C=C[C@H]1O)[C@@H](OC(=O)/C=C/c1ccccc1)c1ccccc1
Title of publication	Cytotoxic styryl-lactones from the leaves and twigs of Polyalthia crassa.
Authors of publication	Tuchinda, Patoomratana; Munyoo, Bamroong; Pohmakotr, Manat; Thinapong, Pongchan; Sophasan, Samaisukh; Santisuk, Thawatchai; Reutrakul, Vichai
Journal of publication	Journal of natural products
Year of publication	2006
Journal volume	69
Journal issue	12
Pages of publication	1728 - 1733
a	6.0723 ± 0.0004 Å
b	12.0285 ± 0.0006 Å
c	25.741 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1880.1 ± 0.2 Å³
Cell temperature	298 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	0.0763
Residual factor for significantly intense reflections	0.0505
Weighted residual factors for significantly intense reflections	0.1055
Weighted residual factors for all reflections included in the refinement	0.1175
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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.	1505806.cif
176435	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1505806.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505806.cif
47753	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1505806 via cif-deposit CGI script.	1505806.cif