Crystallography Open Database

Information card for entry 2204379

2204378 << 2204379 >> 2204380

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Structure parameters

Formula	C15 H13 Cl2 N O4
Calculated formula	C15 H13 Cl2 N O4
SMILES	ClC1=C([O-])C(=C(Cl)C(=O)C1=O)O.[NH2+]1CCCc2ccccc12
Title of publication	1,2,3,4-Tetrahydroquinolinium hydrogen chloranilate
Authors of publication	Hiroyuki Ishida
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	10
Pages of publication	o1674 - o1676
a	25.84 ± 0.008 Å
b	7.0633 ± 0.001 Å
c	17.107 ± 0.005 Å
α	90°
β	108.79 ± 0.03°
γ	90°
Cell volume	2955.9 ± 1.4 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	5
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	0.067
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.11
Weighted residual factors for all reflections included in the refinement	0.121
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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