Crystallography Open Database

Information card for entry 2204586

2204585 << 2204586 >> 2204587

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Coordinates	Coordinates are not available: file is not found.
Structure factors	2204586.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	9-(3-pyridylmethyl)carbazole
Formula	C18 H14 N2
Calculated formula	C18 H14 N2
SMILES	n1(c2ccccc2c2ccccc12)Cc1cccnc1
Title of publication	9-(3-Pyridylmethyl)carbazole
Authors of publication	Duan, Xue-Min; Chen, Li-Gong; Xu, Yan-Jie; Li, Yang; Han, Juan; Li, Le-Ping
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	11
Pages of publication	o1931 - o1932
a	5.0299 ± 0.0012 Å
b	9.777 ± 0.002 Å
c	28.007 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	1377.3 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0598
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.0876
Weighted residual factors for all reflections included in the refinement	0.0961
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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