Crystallography Open Database

Information card for entry 8106397

Preview

Coordinates	8106397.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H41 N O
Calculated formula	C24 H41 N O
SMILES	O([C@H]1CC[C@@]2([C@@H]3[C@H]([C@H]4[C@](C)(CC3)[C@@H]([C@@H](N(C)C)C)CC4)CC=C2C1)C)C
Title of publication	Crystal structure of 3β-methoxy-20α-dimethylamino-pregn-5-ene, C24H41NO
Authors of publication	Huo, Shao-Jie; Wu, Ji-Chun; He, Xi-Chen; Wu, Qi-Yun; Du, Jiang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	233
Journal issue	6
Pages of publication	1057 - 1058
a	6.3752 ± 0.0016 Å
b	12.607 ± 0.003 Å
c	26.943 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	2165.5 ± 0.9 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 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	0.0987
Residual factor for significantly intense reflections	0.0578
Weighted residual factors for significantly intense reflections	0.1063
Weighted residual factors for all reflections included in the refinement	0.1232
Goodness-of-fit parameter for all reflections included in the refinement	0.958
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
279900 (current)	2022-12-15	cif/ Adding structures of 8106397 via cif-deposit CGI script.	8106397.cif