Crystallography Open Database

Information card for entry 1518889

Preview

Coordinates	1518889.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H36 O9
Calculated formula	C30 H36 O9
Title of publication	Bioactive Limonoid Constituents of Munronia henryi.
Authors of publication	Yan, Ying; Zhang, Jian-Xin; Huang, Tao; Mao, Xin-Ying; Gu, Wei; He, Hong-Ping; Di, Ying-Tong; Li, Shun-Lin; Chen, Duo-Zhi; Zhang, Yu; Hao, Xiao-Jiang
Journal of publication	Journal of natural products
Year of publication	2015
Journal volume	78
Journal issue	4
Pages of publication	811 - 821
a	7.8619 ± 0.0012 Å
b	14.832 ± 0.002 Å
c	23.03 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2685.5 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.1396
Residual factor for significantly intense reflections	0.1315
Weighted residual factors for significantly intense reflections	0.2838
Weighted residual factors for all reflections included in the refinement	0.2878
Goodness-of-fit parameter for all reflections included in the refinement	1.165
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.	1518889.cif
138263	2015-06-05	cif/ Updating files of 1518889 Original log message: Adding full bibliography for 1518889.cif.	1518889.cif
134298	2015-03-24	cif/ Adding structures of 1518889 via cif-deposit CGI script.	1518889.cif