Crystallography Open Database

Information card for entry 1517379

Preview

Coordinates	1517379.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H24 N2 O4
Calculated formula	C20 H24 N2 O4
SMILES	O(c1cc2C(=O)CCN3C(=O)[C@@H]4C[C@H](CC)[C@H]3[C@H](C(=O)Nc2cc1)C4)C
Title of publication	Iboga-Type Alkaloids from Ervatamia officinalis.
Authors of publication	Tang, Ben-Qin; Wang, Wen-Jing; Huang, Xiao-Jun; Li, Guo-Qiang; Wang, Lei; Jiang, Ren-Wang; Yang, Ting-Ting; Shi, Lei; Zhang, Xiao-Qi; Ye, Wen-Cai
Journal of publication	Journal of natural products
Year of publication	2014
Journal volume	77
Journal issue	8
Pages of publication	1839
a	9.5735 ± 0.0002 Å
b	9.44199 ± 0.00019 Å
c	10.4447 ± 0.0002 Å
α	90°
β	109.162 ± 0.002°
γ	90°
Cell volume	891.82 ± 0.03 Å³
Cell temperature	173 ± 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	0.028
Residual factor for significantly intense reflections	0.0276
Weighted residual factors for significantly intense reflections	0.0724
Weighted residual factors for all reflections included in the refinement	0.0728
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1517379.cif
123053	2014-09-06	cif/ Updating files of 1517377, 1517378, 1517379, 1517380, 1517381 Original log message: Adding full bibliography for 1517377--1517381.cif.	1517379.cif
122122	2014-08-18	cif/ Adding structures of 1517379 via cif-deposit CGI script.	1517379.cif