Information card for entry 7154036

Structure parameters

• Formula: C21 H17 N O3
• Calculated formula: C21 H17 N O3
• SMILES: [nH]1c2c(cc(OC)cc2)c2c1cccc2C(=O)OCc1ccccc1
• Title of publication: Regioselective π-extension of indoles with rhodium enalcarbenoids - synthesis of substituted carbazoles.
• Authors of publication: Rathore, Kuldeep Singh; Harode, Mandeep; Katukojvala, Sreenivas
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 43
• Pages of publication: 8641 - 8645
• a: 12.295 ± 0.003 Å
• b: 7.7566 ± 0.0016 Å
• c: 33.943 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3237.1 ± 1.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1491
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No