Crystallography Open Database

Information card for entry 1543111

Preview

Coordinates	1543111.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Conodusine A
Formula	C19 H22 N2 O
Calculated formula	C19 H22 N2 O
SMILES	c12c(CCN3C[C@@H]4C[C@H](C(=O)C)[C@H]3[C@H]1C4)c1ccccc1[nH]2
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	10.1845 ± 0.0018 Å
b	10.1845 ± 0.0018 Å
c	14.613 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1515.7 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	76
Hermann-Mauguin space group symbol	P 41
Hall space group symbol	P 4w
Residual factor for all reflections	0.0696
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for significantly intense reflections	0.0651
Weighted residual factors for all reflections included in the refinement	0.0715
Goodness-of-fit parameter for all reflections included in the refinement	0.84
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.	1543111.cif
182116	2016-04-15	cif/ Adding structures of 1543111 via cif-deposit CGI script.	1543111.cif