Crystallography Open Database

Information card for entry 1514342

Preview

Coordinates	1514342.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H33 O4.5
Calculated formula	C20 H33 O4.5
SMILES	O.O[C@@H]1CC[C@H]2[C@]([C@]1(O)C)(CC[C@H]([C@@]2(C[C@H](O)c1ccoc1)C)C)C
Title of publication	Diterpenoids from Croton laui and Their Cytotoxic and Antimicrobial Activities.
Authors of publication	Liu, Cui-Ping; Xu, Jin-Biao; Zhao, Jin-Xin; Xu, Cheng-Hui; Dong, Lei; Ding, Jian; Yue, Jian-Min
Journal of publication	Journal of natural products
Year of publication	2014
Journal volume	77
Journal issue	4
Pages of publication	1013 - 1020
a	10.4173 ± 0.0002 Å
b	12.2196 ± 0.0002 Å
c	29.6743 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	3777.4 ± 0.12 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 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	0.0421
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.1065
Weighted residual factors for all reflections included in the refinement	0.1087
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	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.	1514342.cif
112758	2014-05-04	cif/ Updating files of 1514342 Original log message: Adding full bibliography for 1514342.cif.	1514342.cif
109513	2014-04-16	cif/ Adding structures of 1514342 via cif-deposit CGI script.	1514342.cif