Information card for entry 7154378

Structure parameters

• Common name: 3'd
• Chemical name: 2-methyl-3-phenyl-1H-benzo[g]indole
• Formula: C19 H15 N
• Calculated formula: C19 H15 N
• SMILES: c12c3ccccc3ccc1c(c(C)[nH]2)c1ccccc1
• Title of publication: Facile synthesis of benzoindoles and naphthofurans through carbonaceous material-catalyzed cyclization of naphthylamines/naphthols with nitroolefins in water.
• Authors of publication: Zhang, Furen; Li, Chunmei; Wang, Chen; Qi, Chenze
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 17
• Pages of publication: 5022 - 5029
• a: 10.182 ± 0.003 Å
• b: 19.806 ± 0.007 Å
• c: 8.31 ± 0.003 Å
• α: 90°
• β: 126.517 ± 0.005°
• γ: 90°
• Cell volume: 1346.8 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No