Crystallography Open Database

Information card for entry 2203397

2203396 << 2203397 >> 2203398

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Coordinates	2203397.cif
Original IUCr paper	HTML

Structure parameters

Common name	1-arylated vinamidinium salt.
Chemical name	1-Dimethylamino-3-dimethylimino-1-phenylprop-1-ene perchlorate
Formula	C13 H19 Cl N2 O4
Calculated formula	C13 H19 Cl N2 O4
SMILES	Cl(=O)(=O)(=O)[O-].N(C(=CC=[N+](C)C)c1ccccc1)(C)C
Title of publication	1-Dimethylamino-3-dimethylimino-1-phenylprop-1-ene perchlorate
Authors of publication	Girija, C. R.; Noor Shahina Begum; Sridhar, M. A.; Lokanath, N. K.; Prasad, J. S.
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	4
Pages of publication	o586 - o588
a	11.3858 ± 0.0018 Å
b	7.7718 ± 0.0014 Å
c	18.194 ± 0.003 Å
α	90°
β	104.374 ± 0.012°
γ	90°
Cell volume	1559.6 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0851
Residual factor for significantly intense reflections	0.057
Weighted residual factors for significantly intense reflections	0.1803
Weighted residual factors for all reflections included in the refinement	0.2039
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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