Crystallography Open Database

Information card for entry 1512023

1512022 << 1512023 >> 1512024

Preview

Coordinates	1512023.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	nor-rhazinicine
Formula	C18 H18 N2 O2
Calculated formula	C18 H18 N2 O2
SMILES	O=C1n2c3c(c4c(NC(=O)CC[C@@]3(CC)C1)cccc4)cc2
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	13.646 ± 0.003 Å
b	8.3619 ± 0.0017 Å
c	14.658 ± 0.003 Å
α	90°
β	115.775 ± 0.011°
γ	90°
Cell volume	1506.2 ± 0.6 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	0.1554
Residual factor for significantly intense reflections	0.1416
Weighted residual factors for significantly intense reflections	0.3237
Weighted residual factors for all reflections included in the refinement	0.3423
Goodness-of-fit parameter for all reflections included in the refinement	1.294
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.	1512023.cif
87171	2013-07-14	cif/ Adding structures of 1512023 via cif-deposit CGI script.	1512023.cif