Information card for entry 4514048

Structure parameters

• Formula: C21 H26 N2 O5
• Calculated formula: C21 H26 N2 O5
• SMILES: O=C(OC)c1ccc2cc3n(c2c1)C(=O)N[C@]3(C(=O)OC(C(C)C)C(C)C)C
• Title of publication: Enantioselective C‒H Annulation of Indoles with Diazo Compounds through a Chiral Rh(III) Catalyst
• Authors of publication: Chen, Xiaohong; Yang, Shujing; Li, Helong; Wang, Bo; Song, Guoyong
• Journal of publication: ACS Catalysis
• Year of publication: 2017
• Pages of publication: 2392
• a: 22.5768 ± 0.0011 Å
• b: 8.5784 ± 0.0002 Å
• c: 12.0175 ± 0.0006 Å
• α: 90°
• β: 121.047 ± 0.006°
• γ: 90°
• Cell volume: 1994.04 ± 0.19 ų
• Cell temperature: 105.1 K
• Ambient diffraction temperature: 105.1 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No