Crystallography Open Database

Information card for entry 1519984

1519983 << 1519984 >> 1519985

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Coordinates	1519984.cif

Structure parameters

Chemical name	Toluidinium fumarate
Formula	C11 H13 N O4
Calculated formula	C11 H13 N O4
Title of publication	Toluidinium fumarate
Authors of publication	Callear, Samantha K.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2008
Pages of publication	563
a	9.2008 ± 0.0003 Å
b	23.6311 ± 0.001 Å
c	10.4061 ± 0.0004 Å
α	90°
β	95.173 ± 0.003°
γ	90°
Cell volume	2253.33 ± 0.15 Å³
Cell temperature	260 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0816
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.0901
Weighted residual factors for all reflections included in the refinement	0.1067
Goodness-of-fit parameter for all reflections included in the refinement	0.983
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	1519984.cif
137368	2015-05-26	cif/ Adding structures of 1519984 via cif-deposit CGI script.	1519984.cif