Crystallography Open Database

Information card for entry 2008871

2008870 << 2008871 >> 2008872

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Coordinates	Coordinates are not available: file is not found.
Structure factors	2008871.hkl
Original IUCr paper	HTML

Structure parameters

Common name	N^1^,N^2^ - Di(phenyl)benzamidine nitrate
Formula	C19 H17 N3 O3
Calculated formula	C19 H17 N3 O3
SMILES	c1ccc(C(=[NH+]c2ccccc2)Nc2ccccc2)cc1.N(=O)(=O)[O-]
Title of publication	<i>N</i>,<i>N</i>'-Diphenylbenzamidinium nitrate
Authors of publication	Barker, James; Errington, William; Wallbridge, Malcolm G. H.
Journal of publication	Acta Crystallographica Section C
Year of publication	1999
Journal volume	55
Journal issue	9
Pages of publication	1583 - 1585
a	15.8043 ± 0.0016 Å
b	12.8885 ± 0.0012 Å
c	11.4501 ± 0.0011 Å
α	90°
β	132.195 ± 0.002°
γ	90°
Cell volume	1727.9 ± 0.3 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 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	0.0723
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for all reflections included in the refinement	0.1188
Goodness-of-fit parameter for all reflections included in the refinement	1.002
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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