Crystallography Open Database

Information card for entry 8106504

Preview

Coordinates	8106504.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H22 I N3
Calculated formula	C21 H22 I N3
Title of publication	Crystal structure of 2-(4-(dimethylamino)phenyl)-1,3-dimethyl-1H-perimidin-3-ium iodide, C21H22I1N3
Authors of publication	Yuan, Xian-You; Zhang, Min; Li, Zhong-Yan; Yuan, Lin
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2017
Journal volume	232
Journal issue	2
Pages of publication	265 - 266
a	21.829 ± 0.007 Å
b	10.741 ± 0.003 Å
c	17.564 ± 0.005 Å
α	90°
β	109.446 ± 0.003°
γ	90°
Cell volume	3883 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0334
Residual factor for significantly intense reflections	0.026
Weighted residual factors for significantly intense reflections	0.0632
Weighted residual factors for all reflections included in the refinement	0.0687
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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