Crystallography Open Database

Information card for entry 4511902

4511901 << 4511902 >> 4511903

Preview

Coordinates	4511902.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H35 N O3
Calculated formula	C18 H35 N O3
SMILES	N(C(=O)CCCCCCCCCCCCCCC)CC(=O)O
Title of publication	Structure and Thermotropic Phase Behavior of a Homologous Series ofN-Acylglycines: Neuroactive and Antinociceptive Constituents of Biomembranes
Authors of publication	Reddy, S. Thirupathi; Krovi, Krishna Prasad; Swamy, Musti J.
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	10
Pages of publication	4944
a	51.343 ± 0.009 Å
b	4.8679 ± 0.0008 Å
c	7.6195 ± 0.0013 Å
α	90°
β	92.83 ± 0.003°
γ	90°
Cell volume	1902 ± 0.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1295
Residual factor for significantly intense reflections	0.0874
Weighted residual factors for significantly intense reflections	0.2142
Weighted residual factors for all reflections included in the refinement	0.244
Goodness-of-fit parameter for all reflections included in the refinement	0.97
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
179666 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/19.	4511902.cif
124628	2014-10-06	cif/ Updating files of 4511902, 4511903 Original log message: Adding full bibliography for 4511902--4511903.cif.	4511902.cif
123209	2014-09-07	cif/ Adding structures of 4511902 via cif-deposit CGI script.	4511902.cif