Crystallography Open Database

Information card for entry 1552582

Preview

Coordinates	1552582.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Euphoscopoid F
Chemical name	Euphoscopoid F
Formula	C37 H41 Cl3 O8
Calculated formula	C37 H41 Cl3 O8
SMILES	O([C@H]1[C@H](C[C@@]2(OC(=O)C)[C@H]1/C=C(/[C@H](OC(=O)c1ccccc1)CC(=O)C(/C=C/[C@H](C2=O)C)(C)C)C)C)C(=O)c1ccccc1.ClC(Cl)Cl
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	9.3969 ± 0.0001 Å
b	19.314 ± 0.0002 Å
c	10.1452 ± 0.0001 Å
α	90°
β	101.754 ± 0.001°
γ	90°
Cell volume	1802.66 ± 0.03 Å³
Cell temperature	103 ± 6 K
Ambient diffraction temperature	103 ± 6 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0426
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.1178
Weighted residual factors for all reflections included in the refinement	0.1188
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
222103 (current)	2019-11-04	cif/ Adding structures of 1552582 via cif-deposit CGI script.	1552582.cif