Information card for entry 4124619

Structure parameters

• Formula: C24 H23 N O2
• Calculated formula: C24 H23 N O2
• SMILES: O=C(OC(C)C)[C@]1(c2ccccc2)[C@H](Nc2c1cccc2)c1ccccc1.O=C(OC(C)C)[C@]1(c2ccccc2)c2c(N[C@H]1c1ccccc1)cccc2
• Title of publication: Cation-Controlled Enantioselective and Diastereoselective Synthesis of Indolines: An Autoinductive Phase-Transfer Initiated 5-endo-trig Process.
• Authors of publication: Sharma, Krishna; Wolstenhulme, Jamie R.; Painter, Phillip P.; Yeo, David; Grande-Carmona, Francisca; Johnston, Craig P.; Tantillo, Dean J.; Smith, Martin D.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 41
• Pages of publication: 13414 - 13424
• a: 9.8715 ± 0.0002 Å
• b: 15.2884 ± 0.0003 Å
• c: 25.8224 ± 0.0005 Å
• α: 90°
• β: 94.7782 ± 0.0006°
• γ: 90°
• Cell volume: 3883.56 ± 0.13 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0697
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for all reflections: 0.1136
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9373
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No