Crystallography Open Database

Information card for entry 1540727

Preview

Coordinates	1540727.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Larutienine B
Formula	C19 H22 N2 O2
Calculated formula	C19 H22 N2 O2
SMILES	[C@@]123CCN4CCC[C@]5(C[C@H](N3c3c(C1=O)cccc3)O[C@@H]5C)[C@H]24
Title of publication	Aspidofractinine and Eburnane Alkaloids from a North Borneo Kopsia. Ring-Contracted, Additional Ring-Fused, and Paucidactine-Type Aspidofractinine Alkaloids from K. pauciflora.
Authors of publication	Yap, Wai-Sum; Gan, Chew-Yan; Sim, Kae-Shin; 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	1
Pages of publication	230 - 239
a	14.2796 ± 0.0004 Å
b	7.9986 ± 0.0002 Å
c	15.778 ± 0.0005 Å
α	90°
β	116.781 ± 0.002°
γ	90°
Cell volume	1608.81 ± 0.08 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	0.064
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.0948
Weighted residual factors for all reflections included in the refinement	0.1004
Goodness-of-fit parameter for all reflections included in the refinement	0.917
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
175792 (current)	2016-02-04	cif/ Updating files of 1540726, 1540727, 1540728, 1540729, 1540730, 1540731 Original log message: Adding full bibliography for 1540726--1540731.cif.	1540727.cif
171765	2015-12-31	cif/ Adding structures of 1540727 via cif-deposit CGI script.	1540727.cif