Crystallography Open Database

Information card for entry 1547854

Preview

Coordinates	1547854.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(-)-Leucophyllidine
Formula	C42 H52 N4 O3
Calculated formula	C42 H52 N4 O3
SMILES	Oc1cc2nc3N4CCC[C@@](C4)(Cc3c(c2cc1[C@H]1n2c3[C@@H]4N(CCC[C@@]4(C1)CC)CCc3c1c2cccc1)C=C)CC.O(C(=O)C)CC
Title of publication	Biosynthetic Enantiodivergence in the Eburnane Alkaloids from Kopsia.
Authors of publication	Chong, Kam-Weng; Yeap, Joanne Soon-Yee; Lim, Siew-Huah; Weber, Jean-Frédéric F; Low, Yun-Yee; Kam, Toh-Seok
Journal of publication	Journal of natural products
Year of publication	2017
Journal volume	80
Journal issue	11
Pages of publication	3014 - 3024
a	12.7943 ± 0.0004 Å
b	8.5404 ± 0.0002 Å
c	17.244 ± 0.0006 Å
α	90°
β	108.984 ± 0.004°
γ	90°
Cell volume	1781.74 ± 0.1 Å³
Cell temperature	157 ± 2 K
Ambient diffraction temperature	157 ± 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	0.0602
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.1151
Weighted residual factors for all reflections included in the refinement	0.123
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
203988 (current)	2017-12-05	cif/ Updating files of 1547851, 1547852, 1547853, 1547854, 1547855, 1547856, 1547857, 1547858 Original log message: Adding full bibliography for 1547851--1547858.cif.	1547854.cif
202492	2017-11-02	cif/ Adding structures of 1547854 via cif-deposit CGI script.	1547854.cif