Crystallography Open Database

Information card for entry 1534095

Preview

Coordinates	1534095.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H40 N0 O8
Calculated formula	C32 H40 O8
SMILES	O(C(=O)Cc1ccccc1)[C@H]1[C@H]2[C@H](OC(=O)C)[C@@]3(OC3)CC[C@H]3C([C@H]3C=C(C(=O)[C@]2(OC(=O)C)C[C@H]1C)C)(C)C
Title of publication	Bioactivity-guided isolation of anticancer compounds from Euphorbia lathyris
Authors of publication	Yang, Shanshan; Sun, Jiachen; Lu, Hong; Ma, Hong; Zhang, Yaozhou
Journal of publication	Anal. Methods
Year of publication	2015
Journal volume	7
Journal issue	22
Pages of publication	9568
a	8.2474 ± 0.0016 Å
b	12.543 ± 0.003 Å
c	29.019 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	3001.9 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.1205
Residual factor for significantly intense reflections	0.0668
Weighted residual factors for significantly intense reflections	0.1111
Weighted residual factors for all reflections included in the refinement	0.126
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
170917 (current)	2015-12-09	cif/ Updating files of 1534095 Original log message: Adding full bibliography for 1534095.cif.	1534095.cif
160416	2015-10-06	cif/ Adding structures of 1534095 via cif-deposit CGI script.	1534095.cif