Information card for entry 7235699

Structure parameters

• Common name: carbazole
• Chemical name: methyl 4,9-dimethyl-9H-carbazole-2-carboxylate
• Formula: C16 H15 N O2
• Calculated formula: C16 H15 N O2
• Title of publication: The Baylis‒Hillman acetates in organic synthesis: Unprecedented sodium nitrite induced intramolecular Friedel‒Crafts cyclization of secondary nitro compounds
• Authors of publication: Basavaiah, Deevi; Reddy, Daggula Mallikarjuna
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 46
• Pages of publication: 23966
• a: 8.526 ± 0.006 Å
• b: 38.83 ± 0.03 Å
• c: 7.91 ± 0.006 Å
• α: 90°
• β: 94.242 ± 0.014°
• γ: 90°
• Cell volume: 2612 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.1333
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.1665
• Weighted residual factors for all reflections included in the refinement: 0.2316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No