Information card for entry 2311143

Structure parameters

• Common name: carbazole
• Chemical name: 7-Methyl-1-phenyl-1,10-dihydropyrazolo[3,4-<i>a</i>]carbazole
• Formula: C20 H15 N3
• Calculated formula: C20 H15 N3
• SMILES: n1(ncc2ccc3c4cc(ccc4[nH]c3c12)C)c1ccccc1
• Title of publication: 7-Methyl-1-phenyl-1,10-di-hydro-pyrazolo-[3,4-a]carbazole.
• Authors of publication: Archana, R.; Yamuna, E.; Thiruvalluvar, A.; Rajendra Prasad, K. J.; Butcher, R. J.; Gupta, Sushil K.; Oztürk Yildirim, Sema
• Journal of publication: Acta crystallographica. Section E, Structure reports online
• Year of publication: 2013
• Journal volume: 69
• Journal issue: Pt 5
• Pages of publication: o801
• a: 12.0727 ± 0.0006 Å
• b: 7.5934 ± 0.0003 Å
• c: 16.8355 ± 0.0008 Å
• α: 90°
• β: 104.087 ± 0.005°
• γ: 90°
• Cell volume: 1496.95 ± 0.12 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0806
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No