Crystallography Open Database

Information card for entry 4508472

Preview

Coordinates	4508472.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C105 H97 N16 O24
Calculated formula	C105 H97 N16 O24
Title of publication	The First Phenyl-N-pyridinylcarbamate Structures: Structural and Conformational Analysis of Nine Methoxyphenyl-N-pyridinylcarbamates
Authors of publication	Mocilac, Pavle; Gallagher, John F.
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	12
Pages of publication	5295
a	54.929 ± 0.004 Å
b	54.929 ± 0.004 Å
c	8.6324 ± 0.0006 Å
α	90°
β	90°
γ	120°
Cell volume	22556 ± 3 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	4
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.1146
Residual factor for significantly intense reflections	0.0942
Weighted residual factors for significantly intense reflections	0.2203
Weighted residual factors for all reflections included in the refinement	0.2307
Goodness-of-fit parameter for all reflections included in the refinement	1.146
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179620 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/84.	4508472.cif
91485	2013-12-13	cif/ Adding structures of 4508472 via cif-deposit CGI script.	4508472.cif