Crystallography Open Database

Information card for entry 1513359

Preview

Coordinates	1513359.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	2-deoxyleuconoxine
Formula	C19 H22 N2 O
Calculated formula	C19 H22 N2 O
SMILES	C1CC[C@]2(CCCN3C(=O)C=C4c5ccccc5N1[C@@]234)CC
Title of publication	Transformations of the 2,7-Seco Aspidosperma Alkaloid Leuconolam, Structure Revision of epi-Leuconolam, and Partial Syntheses of Leuconoxine and Leuconodines A and F.
Authors of publication	Low, Yun-Yee; Hong, Fong-Jiao; Lim, Kuan-Hon; Thomas, Noel F.; Kam, Toh-Seok
Journal of publication	Journal of natural products
Year of publication	2014
Journal volume	77
Journal issue	2
Pages of publication	327 - 338
a	11.2107 ± 0.0006 Å
b	11.5443 ± 0.0006 Å
c	12.1199 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	1568.55 ± 0.15 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0478
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.0921
Weighted residual factors for all reflections included in the refinement	0.0985
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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.	1513359.cif
104234	2014-03-10	cif/ Adding structures of 1513359 via cif-deposit CGI script.	1513359.cif