Information card for entry 4101788

Structure parameters

• Formula: C25 H23 N O2
• Calculated formula: C25 H23 N O2
• SMILES: c12ccccc1[C@@]1([C@@H](C=C([C@@H]1N2C)C(=O)OC)c1ccc2ccccc2c1)C
• Title of publication: Rhodium-Catalyzed [3 + 2] Annulation of Indoles
• Authors of publication: Yajing Lian; Huw M. L. Davies
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 440 - 441
• a: 8.4016 ± 0.0008 Å
• b: 12.9089 ± 0.0014 Å
• c: 18.1051 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1963.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1234
• Residual factor for significantly intense reflections: 0.0798
• Weighted residual factors for significantly intense reflections: 0.2193
• Weighted residual factors for all reflections included in the refinement: 0.2789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No