Crystallography Open Database

Information card for entry 4510804

Preview

Coordinates	4510804.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H11 N O2
Calculated formula	C14 H11 N O2
Title of publication	Polymorphic Diversity:N-Phenylbenzamide as a Possible Polymorphophore
Authors of publication	Zipp, Caitlin F.; Dirr, Heini W.; Fernandes, Manuel A.; Marques, Helder M.; Michael, Joseph P.
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	8
Pages of publication	3463
a	3.8949 ± 0.0001 Å
b	25.1426 ± 0.0008 Å
c	16.8477 ± 0.0005 Å
α	90°
β	95.522 ± 0.002°
γ	90°
Cell volume	1642.2 ± 0.08 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.1042
Residual factor for significantly intense reflections	0.0413
Weighted residual factors for significantly intense reflections	0.0704
Weighted residual factors for all reflections included in the refinement	0.0856
Goodness-of-fit parameter for all reflections included in the refinement	0.882
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179655 (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 4/51/08.	4510804.cif
113181	2014-05-08	cif/ Adding structures of 4510804 via cif-deposit CGI script.	4510804.cif