Information card for entry 4028631

Structure parameters

• Formula: C23 H19 N
• Calculated formula: C23 H19 N
• SMILES: n1(c2ccccc2c2c1CC=CC2c1cc2c(cc1)cccc2)C
• Title of publication: Regioselective Synthesis of Elusive 4,9-Dihydro-1H-Carbazoles by Gold-Catalyzed Cycloisomerization of 3-Allenylmethylindoles
• Authors of publication: Estela Álvarez; Patricia García-García; Manuel A. Fernández-Rodríguez; Roberto Sanz
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 9758 - 9771
• a: 17.627 ± 0.004 Å
• b: 16.321 ± 0.004 Å
• c: 5.5951 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1609.7 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0359
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No