Crystallography Open Database

Information card for entry 1540728

Preview

Coordinates	1540728.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Paucidactinine
Formula	C23 H24 N2 O7
Calculated formula	C23 H24 N2 O7
SMILES	[C@@]123[C@]4([C@@H]5CN6CCC[C@](C[C@]1(OC5=O)O)(CC2)[C@@H]46)c1ccc2c(c1N3C(=O)OC)OCO2
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	9.9492 ± 0.0005 Å
b	8.2037 ± 0.0004 Å
c	13.0494 ± 0.0007 Å
α	90°
β	109.845 ± 0.003°
γ	90°
Cell volume	1001.84 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0664
Residual factor for significantly intense reflections	0.0535
Weighted residual factors for significantly intense reflections	0.1226
Weighted residual factors for all reflections included in the refinement	0.1282
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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.	1540728.cif
171766	2015-12-31	cif/ Adding structures of 1540728 via cif-deposit CGI script.	1540728.cif