Crystallography Open Database

Information card for entry 2014948

2014947 << 2014948 >> 2014949

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Structure parameters

Chemical name	14-Phenyl-7-thiapyrano[2,3-c;6,5-c']diquinoline-14-carbonitrile
Formula	C26 H15 N3 S
Calculated formula	C26 H15 N3 S
SMILES	S1c2cnc3c(c2C(c2c1cnc1c2cccc1)(c1ccccc1)C#N)cccc3
Title of publication	Azinyl sulfides. LXXXI. 14-Phenyl-7-thiapyrano[2,3-<i>c</i>;6,5-<i>c</i>']diquinoline-14-carbonitrile
Authors of publication	Céline Besnard; Christian Kloc; Theo Siegrist; Christer Svensson; Krystian Pluta
Journal of publication	Acta Crystallographica Section C
Year of publication	2005
Journal volume	61
Journal issue	6
Pages of publication	o377 - o379
a	7.9135 ± 0.0001 Å
b	9.3622 ± 0.0004 Å
c	13.328 ± 0.0005 Å
α	75.724 ± 0.002°
β	84.369 ± 0.001°
γ	84.415 ± 0.002°
Cell volume	949.59 ± 0.06 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 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	0.0512
Weighted residual factors for all reflections included in the refinement	0.1367
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.996 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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