Information card for entry 4101786

Structure parameters

• Formula: C22 H23 N O3
• Calculated formula: C22 H23 N O3
• SMILES: c12ccccc1[C@H]1C(=C[C@@H]([C@@]1(C)N2C)c1ccc(cc1)OC)C(=O)OC
• 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: 10.6326 ± 0.0009 Å
• b: 5.7924 ± 0.0005 Å
• c: 15.5841 ± 0.0014 Å
• α: 90°
• β: 107.396 ± 0.006°
• γ: 90°
• Cell volume: 915.9 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0589
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No