Information card for entry 7110267

Structure parameters

• Formula: C24 H21 N O3
• Calculated formula: C24 H21 N O3
• SMILES: O=C(OC)[C@@]1(Nc2c([C@@]1(O)/C=C/c1ccccc1)cccc2)c1ccccc1.O=C(OC)[C@]1(Nc2c([C@]1(O)/C=C/c1ccccc1)cccc2)c1ccccc1
• 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: 10.7586 ± 0.0006 Å
• b: 16.5601 ± 0.001 Å
• c: 21.471 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3825.3 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.1283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No