Crystallography Open Database

Information card for entry 1543110

Preview

Coordinates	1543110.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Conodusine C
Formula	C20 H28 N2 O4
Calculated formula	C20 H28 N2 O4
SMILES	c12c(CCN3(C[C@@H]4C[C@@H](C(=O)C)[C@H]3[C@H]1C4)=O)c1ccccc1[nH]2.CO.O
Title of publication	Ibogan, Aspidosperman, Vincamine, and Bisindole Alkaloids from a Malayan Tabernaemontana corymbosa: Iboga Alkaloids with C-20α Substitution.
Authors of publication	Nge, Choy-Eng; Chong, Kam-Weng; Thomas, Noel F.; Lim, Siew-Huah; Low, Yun-Yee; Kam, Toh-Seok
Journal of publication	Journal of natural products
Year of publication	2016
Journal volume	79
Journal issue	5
Pages of publication	1388 - 1399
a	6.575 ± 0.0004 Å
b	14.273 ± 0.0008 Å
c	19.3071 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	1811.87 ± 0.18 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0784
Residual factor for significantly intense reflections	0.0498
Weighted residual factors for significantly intense reflections	0.0994
Weighted residual factors for all reflections included in the refinement	0.1155
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
183588 (current)	2016-06-17	cif/ Updating files of 1543109, 1543110, 1543111 Original log message: Adding full bibliography for 1543109--1543111.cif.	1543110.cif
182115	2016-04-15	cif/ Adding structures of 1543110 via cif-deposit CGI script.	1543110.cif