Crystallography Open Database

Information card for entry 7242080

7242079 << 7242080 >> 7242081

Preview

Coordinates	7242080.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H42 O9
Calculated formula	C38 H42 O9
SMILES	c1ccccc1C(=O)O[C@@H]1C[C@@H]2[C@H](C2(C)C)/C=C(C)\C(=O)[C@]2(C[C@H](C)[C@@H]([C@@H]2[C@H](C1=C)OC(=O)C)OC(=O)c1ccccc1)OC(=O)C
Title of publication	Two lathyrane diterpenoid stereoisomers containing an unusual trans-gem-dimethylcyclopropane from the seeds of Euphorbia lathyris
Authors of publication	Li, Linwei; Huang, Jianan; Lyu, Hui; Guan, Fuqin; Li, Pirui; Tian, Mei; Xu, Shu; Zhao, Xingzeng; Liu, Fei; Paetz, Christian; Feng, Xu; Chen, Yu
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	5
Pages of publication	3183 - 3189
a	9.14 ± 0.0004 Å
b	9.3542 ± 0.0004 Å
c	10.6916 ± 0.0005 Å
α	104.278 ± 0.002°
β	90.57 ± 0.002°
γ	91.63 ± 0.002°
Cell volume	885.37 ± 0.07 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0343
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.0954
Weighted residual factors for all reflections included in the refinement	0.0963
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
260984 (current)	2021-01-15	cif/ Adding structures of 7242080 via cif-deposit CGI script.	7242080.cif