Information card for entry 7221610

Structure parameters

• Chemical name: 11-benzyl-5-nitro-11H-benzo[a]carbazole
• Formula: C23 H16 N2 O2
• Calculated formula: C23 H16 N2 O2
• SMILES: O=N(=O)c1cc2c3c(n(c2c2c1cccc2)Cc1ccccc1)cccc3
• Title of publication: Construction of Benzo[a]carbazole Derivatives via Diels-Alder Reaction of Arynes with Vinylindoles
• Authors of publication: Wu, Lijun; Huang, Hui; Dang, Pan; Liang, Yun; Pi, Shaofeng
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 5.7929 ± 0.0003 Å
• b: 14.5941 ± 0.0005 Å
• c: 10.674 ± 0.0005 Å
• α: 90°
• β: 105.323 ± 0.005°
• γ: 90°
• Cell volume: 870.32 ± 0.07 ų
• Cell temperature: 180.01 ± 0.1 K
• Ambient diffraction temperature: 180.01 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0859
• Residual factor for significantly intense reflections: 0.0846
• Weighted residual factors for significantly intense reflections: 0.2608
• Weighted residual factors for all reflections included in the refinement: 0.2617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No