Crystallography Open Database

Information card for entry 1552578

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Coordinates	1552578.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Euphoscopoid D
Chemical name	Euphoscopoid D
Formula	C29 H34 O7
Calculated formula	C29 H34 O7
SMILES	O([C@H]1[C@@H](C[C@@]2(OC(=O)C)[C@H]1/C=C(/C(=O)CC(=O)C(C/C=C(/C2=O)C)(C)C)C)C)C(=O)c1ccccc1
Title of publication	Macrocyclic Diterpenoids from <i>Euphorbia helioscopia</i> and Their Potential Anti-inflammatory Activity.
Authors of publication	Su, Jun-Cheng; Cheng, Wen; Song, Jian-Guo; Zhong, Yuan-Lin; Huang, Xiao-Jun; Jiang, Ren-Wang; Li, Yao-Lan; Li, Man-Mei; Ye, Wen-Cai; Wang, Ying
Journal of publication	Journal of natural products
Year of publication	2019
Journal volume	82
Journal issue	10
Pages of publication	2818 - 2827
a	7.9611 ± 0.0003 Å
b	12.8686 ± 0.0005 Å
c	25.9554 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	2659.08 ± 0.17 Å³
Cell temperature	178 ± 3 K
Ambient diffraction temperature	178 ± 3 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	0.0621
Residual factor for significantly intense reflections	0.0434
Weighted residual factors for significantly intense reflections	0.0864
Weighted residual factors for all reflections included in the refinement	0.0924
Goodness-of-fit parameter for all reflections included in the refinement	1.004
Diffraction radiation probe	x-ray
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
222099 (current)	2019-11-04	cif/ Adding structures of 1552578 via cif-deposit CGI script.	1552578.cif