Information card for entry 1507616

Structure parameters

• Formula: C17 H21 N O2
• Calculated formula: C17 H21 N O2
• SMILES: c12ccc(cc1c(c(C)n2C)[C@H](/C=C\C(=O)OC)C)C
• Title of publication: Rh(2)(S-biTISP)(2)-Catalyzed Asymmetric Functionalization of Indoles and Pyrroles with Vinylcarbenoids.
• Authors of publication: Lian, Yajing; Davies, Huw M. L.
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 7
• Pages of publication: 1934 - 1937
• a: 7.1902 ± 0.0003 Å
• b: 11.3975 ± 0.0004 Å
• c: 18.3499 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1503.78 ± 0.1 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: 0.0377
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No