Crystallography Open Database

Information card for entry 7209657

7209656 << 7209657 >> 7209658

Preview

Coordinates	7209657.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	carbamazepine hemikis(fumaric acid)
Formula	C17 H14 N2 O3
Calculated formula	C17 H14 N2 O3
Title of publication	A comparative assessment of the influence of different crystallization screening methodologies on the solid forms of carbamazepine co-crystals
Authors of publication	Rahim, Syarifah Abd; Hammond, Robert B.; Sheikh, Ahmad Y.; Roberts, Kevin J.
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	19
Pages of publication	3862
a	5.0356 ± 0.0003 Å
b	9.3352 ± 0.0006 Å
c	31.222 ± 0.002 Å
α	90°
β	93.442 ± 0.003°
γ	90°
Cell volume	1465.05 ± 0.16 Å³
Cell temperature	150 ± 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	0.0501
Residual factor for significantly intense reflections	0.0361
Weighted residual factors for significantly intense reflections	0.084
Weighted residual factors for all reflections included in the refinement	0.0944
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
180427 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/96.	7209657.cif
86065	2013-05-09	cif/ Adding structures of 7209657 via cif-deposit CGI script.	7209657.cif