Crystallography Open Database

Information card for entry 4511903

4511902 << 4511903 >> 4511904

Preview

Coordinates	4511903.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H31 N O3
Calculated formula	C16 H31 N O3
SMILES	OC(=O)CNC(=O)CCCCCCCCCCCCC
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	92.388 ± 0.016 Å
b	4.86 ± 0.0008 Å
c	7.6485 ± 0.0013 Å
α	90°
β	91.702 ± 0.004°
γ	90°
Cell volume	3432.7 ± 1 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0987
Residual factor for significantly intense reflections	0.0805
Weighted residual factors for significantly intense reflections	0.2072
Weighted residual factors for all reflections included in the refinement	0.218
Goodness-of-fit parameter for all reflections included in the refinement	1.115
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.	4511903.cif
124628	2014-10-06	cif/ Updating files of 4511902, 4511903 Original log message: Adding full bibliography for 4511902--4511903.cif.	4511903.cif
123210	2014-09-07	cif/ Adding structures of 4511903 via cif-deposit CGI script.	4511903.cif