Crystallography Open Database

Information card for entry 1506019

Preview

Coordinates	1506019.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H28 O3
Calculated formula	C20.001 H28 O3
Title of publication	Skeleton-rearranged pentacyclic diterpenoids possessing a cyclobutane ring from Euphorbia wallichii.
Authors of publication	Pan, Li; Zhou, Ping; Zhang, Xiaofeng; Peng, Shulin; Ding, Lisheng; Qiu, Samuel X.
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	13
Pages of publication	2775 - 2778
a	9.697 ± 0.002 Å
b	11.333 ± 0.003 Å
c	31.449 ± 0.009 Å
α	90°
β	90°
γ	90°
Cell volume	3456.1 ± 1.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0983
Residual factor for significantly intense reflections	0.0498
Weighted residual factors for significantly intense reflections	0.0981
Weighted residual factors for all reflections included in the refinement	0.1099
Goodness-of-fit parameter for all reflections included in the refinement	0.901
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	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.	1506019.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506019.cif
47932	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1506019 via cif-deposit CGI script.	1506019.cif