Crystallography Open Database

Information card for entry 4109708

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Structure parameters

Formula	C34 H44 N2
Calculated formula	C34 H44 N2
SMILES	c1cccc2n(c3cc4c(cc3c12)n(c1ccccc41)CCCCCCCC)CCCCCCCC
Title of publication	Synthesis, Characterization, and Application of Indolo[3,2-b]carbazole Semiconductors
Authors of publication	Pierre-Luc T. Boudreault; Salem Wakim; Nicolas Blouin; Michel Simard; Christian Tessier; Ye Tao; Mario Leclerc
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	9125 - 9136
a	15.2682 ± 0.0009 Å
b	5.2745 ± 0.0003 Å
c	17.6381 ± 0.001 Å
α	90°
β	96.92 ± 0.001°
γ	90°
Cell volume	1410.09 ± 0.14 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	3
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	0.0441
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for significantly intense reflections	0.1172
Weighted residual factors for all reflections included in the refinement	0.1229
Goodness-of-fit parameter for all reflections included in the refinement	1.634
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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