Information card for entry 2311146

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 ų
• 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 Fobs: No