Crystallography Open Database

Information card for entry 3000123

Preview

No preview available: structure is on hold until 2017-07-22

Coordinates	Coordinates are not available: structure is on hold until 2017-07-22

Structure parameters

Chemical name	5-(dimethylphenyl)ammonium-valeric acid bromide hydrate
Formula	C13 H22 Br N O3
Authors of publication	Roszak, Kinga; Katrusiak, Andrzej; Szafran, Miroslaw
Journal of publication	To be published
a	13.3769 ± 0.0003 Å
b	7.1274 ± 0.0002 Å
c	15.8373 ± 0.0003 Å
α	90°
β	91.71 ± 0.002°
γ	90°
Cell volume	1509.3 ± 0.06 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0407
Residual factor for significantly intense reflections	0.0339
Weighted residual factors for significantly intense reflections	0.0788
Weighted residual factors for all reflections included in the refinement	0.0816
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	No
Has disorder	No
Has F_obs	No

Version history

Not available for prepublication material.