Crystallography Open Database

Information card for entry 2010491

2010490 << 2010491 >> 2010492

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Coordinates	2010491.cif
Original IUCr paper	HTML

Structure parameters

Formula	C24 H13 N5 S
Calculated formula	C24 H13 N5 S
SMILES	c1ccc2c(c1)Sc1c(N2)cccc1.N#CC(=c1ccc(=C(C#N)C#N)cc1)C#N
Title of publication	Non-Sinusoidal Structure of the 1:1 Complex of Phenothiazine and 7,7,8,8-Tetracyanoquinodimethane
Authors of publication	Toupet, L.; Karl, N.
Journal of publication	Acta Crystallographica Section C
Year of publication	1995
Journal volume	51
Journal issue	2
Pages of publication	249 - 251
a	7.066 ± 0.003 Å
b	10.657 ± 0.006 Å
c	13.046 ± 0.007 Å
α	91.99 ± 0.05°
β	103.15 ± 0.05°
γ	90.52 ± 0.04°
Cell volume	955.9 ± 0.9 Å³
Cell temperature	294 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.057
Weighted residual factors for significantly intense reflections	0.056
Goodness-of-fit parameter for significantly intense reflections	0.81
Diffraction radiation wavelength	0.70926 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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