Information card for entry 7110266

Structure parameters

• Formula: C25 H25 N O3
• Calculated formula: C25 H25 N O3
• SMILES: O[C@@]1(c2ccccc2N([C@]1(c1ccc(cc1)C)C(=O)OC)Cc1ccccc1)C.O[C@]1(c2ccccc2N([C@@]1(c1ccc(cc1)C)C(=O)OC)Cc1ccccc1)C
• Title of publication: Highly diastereoselective synthesis of 3-hydroxy-2,2,3-trisubstituted indolines via intramolecular trapping of ammonium ylides with ketones
• Authors of publication: Changcheng Jing; Dong Xing; Wenhao Hu
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 951
• a: 10.0938 ± 0.0005 Å
• b: 19.9876 ± 0.001 Å
• c: 11.2239 ± 0.0006 Å
• α: 90°
• β: 115.15 ± 0.002°
• γ: 90°
• Cell volume: 2049.76 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.093
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1741
• Weighted residual factors for all reflections included in the refinement: 0.2001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No