Crystallography Open Database

Information card for entry 1512025

1512024 << 1512025 >> 1512026

Preview

Coordinates	1512025.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Leuconodine B (scholarisine G)
Formula	C20 H26 N2 O4
Calculated formula	C20 H26 N2 O4
SMILES	C1(=O)CC[C@]2(CCCN3C(=O)C[C@]4(c5ccccc5N1[C@@]234)O)CC.CO
Title of publication	Rhazinilam-Leuconolam-Leuconoxine Alkaloids from Leuconotis griffithii.
Authors of publication	Gan, Chew-Yan; Low, Yun-Yee; Thomas, Noel F.; Kam, Toh-Seok
Journal of publication	Journal of natural products
Year of publication	2013
Journal volume	76
Journal issue	5
Pages of publication	957 - 964
a	8.0382 ± 0.0005 Å
b	14.5281 ± 0.0009 Å
c	15.2187 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	1777.24 ± 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	0.0801
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.0988
Weighted residual factors for all reflections included in the refinement	0.1091
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	1512025.cif
87173	2013-07-14	cif/ Adding structures of 1512025 via cif-deposit CGI script.	1512025.cif