Crystallography Open Database

Information card for entry 2311146

Preview

Coordinates	2311146.cif
Original IUCr paper	HTML

Structure parameters

Common name	carbazole
Chemical name	10-Methyl-2-oxo-4-phenyl-2,11-dihydropyrano[2,3-<i>a</i>]carbazole-3-carbonitrile
Formula	C23 H14 N2 O2
Calculated formula	C23 H14 N2 O2
SMILES	o1c(=O)c(c(c2ccc3c4cccc(c4[nH]c3c12)C)c1ccccc1)C#N
Title of publication	10-Methyl-2-oxo-4-phenyl-2,11-di-hydro-pyrano[2,3-a]carbazole-3-carbo-nitrile.
Authors of publication	Thiruvalluvar, A.; Yamuna, E.; Archana, R.; Rajendra Prasad, K. J.; Butcher, R. J.
Journal of publication	Acta crystallographica. Section E, Structure reports online
Year of publication	2013
Journal volume	69
Journal issue	Pt 6
Pages of publication	o831
a	7.8659 ± 0.0001 Å
b	8.5151 ± 0.0001 Å
c	25.1137 ± 0.0004 Å
α	90°
β	98.133 ± 0.002°
γ	90°
Cell volume	1665.17 ± 0.04 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0632
Residual factor for significantly intense reflections	0.0531
Weighted residual factors for significantly intense reflections	0.1486
Weighted residual factors for all reflections included in the refinement	0.1542
Goodness-of-fit parameter for all reflections included in the refinement	1.164
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
245618 (current)	2019-12-25	cif/ Adding structures of 2311146 via cif-deposit CGI script.	2311146.cif