Crystallography Open Database

Information card for entry 2012483

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Structure parameters

Chemical name	3-(9-ethyl-9H-carbazol-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)acrylonitrile
Formula	C26 H19 N3 S
Calculated formula	C26 H19 N3 S
SMILES	s1c(nc(c1)c1ccccc1)/C(=C/c1ccc2n(c3c(c2c1)cccc3)CC)C#N
Title of publication	Three polar derivatives of <i>N</i>-ethylcarbazole: materials for optical applications
Authors of publication	Nesterov, Vladimir N.; Montoya, Nicole G.; Antipin, Mikhail Yu.; Sanghadasa, Mohan; Clark, Ronald D.; Timofeeva, Tatiana V.
Journal of publication	Acta Crystallographica Section C
Year of publication	2002
Journal volume	58
Journal issue	2
Pages of publication	o72 - o75
a	19.384 ± 0.005 Å
b	16.456 ± 0.004 Å
c	6.5323 ± 0.0017 Å
α	90°
β	95.637 ± 0.019°
γ	90°
Cell volume	2073.6 ± 0.9 Å³
Cell temperature	155 ± 2 K
Ambient diffraction temperature	155 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.082
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.107
Weighted residual factors for all reflections included in the refinement	0.112
Goodness-of-fit parameter for all reflections included in the refinement	0.917
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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