Crystallography Open Database

Information card for entry 1512024

1512023 << 1512024 >> 1512025

Preview

Coordinates	1512024.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Leuconodine A
Formula	C21 H28 N2 O4
Calculated formula	C21 H28 N2 O4
SMILES	c12[C@@H]3[C@H](C(=O)N4[C@@]53N(c2cccc1)C(=O)CC[C@@]5(CC)CCC4)O.C(C)O
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	7.3486 ± 0.0004 Å
b	15.0738 ± 0.0007 Å
c	16.674 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	1847 ± 0.16 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	0.1133
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.1044
Weighted residual factors for all reflections included in the refinement	0.1263
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1512024.cif
87172	2013-07-14	cif/ Adding structures of 1512024 via cif-deposit CGI script.	1512024.cif