Crystallography Open Database

Information card for entry 7224464

Preview

Coordinates	7224464.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	3-oxo-7R-coronaridine hydroxyindolenine
Formula	C23 H27 N3 O4
Calculated formula	C23 H27 N3 O4
SMILES	O[C@]12C(=Nc3c2cccc3)[C@@]2(C[C@@H]3C(=O)N(CC1)[C@H]2[C@H](C3)CC)C(=O)OC.N#CC
Title of publication	New Iboga-Type Alkaloids from Ervatamia hainanensis
Authors of publication	Liu, Zhi-Wen; Huang, Xiao-Jun; Xiao, Han-Lin; Liu, Guo; Zhang, Jian; Shi, Lei; Jiang, Renwang; Zhang, Xiao-Qi; Ye, Wen-Cai
Journal of publication	RSC Adv.
Year of publication	2016
a	10.0734 ± 0.00018 Å
b	9.87893 ± 0.00013 Å
c	11.00555 ± 0.00018 Å
α	90°
β	107.657 ± 0.0019°
γ	90°
Cell volume	1043.61 ± 0.03 Å³
Cell temperature	173 ± 0.2 K
Ambient diffraction temperature	173 ± 2 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	0.0244
Residual factor for significantly intense reflections	0.0243
Weighted residual factors for significantly intense reflections	0.0634
Weighted residual factors for all reflections included in the refinement	0.0635
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
177126 (current)	2016-03-02	cif/ Adding structures of 7224464, 7224465, 7224466, 7224467 via cif-deposit CGI script.	7224464.cif