Information card for entry 7111525

Structure parameters

• Formula: C19 H17 N O
• Calculated formula: C19 H17 N O
• SMILES: c1cc2c(cc1)n(c1c2c2cc(OC)ccc2cc1C)C
• Title of publication: One-pot synthesis of benzo[c]carbazoles by photochemical annulation of 2-chloroindole-3-carbaldehydes
• Authors of publication: Wang, Cailin; Zhang, Wei; Lu, Shenci; Wu, Jingfei; Shi, Zongjun
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2008
• Journal issue: 41
• Pages of publication: 5176 - 5178
• a: 11.209 ± 0.003 Å
• b: 7.292 ± 0.002 Å
• c: 18.864 ± 0.004 Å
• α: 90°
• β: 114.178 ± 0.013°
• γ: 90°
• Cell volume: 1406.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.072
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1591
• Weighted residual factors for all reflections included in the refinement: 0.1731
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7103439
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No