Crystallography Open Database

Information card for entry 1519615

1519614 << 1519615 >> 1519616

Preview

Coordinates	1519615.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H31.5 N0.5 O2
Calculated formula	C21 H31.5 N0.5 O2
SMILES	O=C1C[C@H]2C(CCC[C@@]2([C@@H]2C1=C[C@]([C@H](O)C2)(C=C)C)C)(C)C.N#CC
Title of publication	Anti-inflammatory Terpenoids from the Leaves and Twigs of Dysoxylum gotadhora.
Authors of publication	Jiang, Kan; Chen, Lu-Lin; Wang, Shu-Fang; Wang, Yi; Li, Ya; Gao, Kun
Journal of publication	Journal of natural products
Year of publication	2015
Journal volume	78
Journal issue	5
Pages of publication	1037 - 1044
a	6.3147 ± 0.0002 Å
b	23.2682 ± 0.0009 Å
c	25.4495 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	3739.3 ± 0.2 Å³
Cell temperature	290.92 ± 0.1 K
Ambient diffraction temperature	290.92 ± 0.1 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	0.0641
Residual factor for significantly intense reflections	0.0478
Weighted residual factors for significantly intense reflections	0.1146
Weighted residual factors for all reflections included in the refinement	0.1259
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176429 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	1519615.cif
138268	2015-06-05	cif/ Updating files of 1519613, 1519614, 1519615 Original log message: Adding full bibliography for 1519613--1519615.cif.	1519615.cif
136304	2015-05-13	cif/ Adding structures of 1519615 via cif-deposit CGI script.	1519615.cif