Information card for entry 4026881

Structure parameters

• Formula: C27 H26 Br N O
• Calculated formula: C27 H26 Br N O
• SMILES: Brc1ccc([C@H]2[C@@H](N(c3c2cccc3)C(=O)C(C)(C)C)/C=C/c2ccccc2)cc1
• Title of publication: Asymmetric Synthesis oftrans-2,3-Disubstituted Indoline Derivatives
• Authors of publication: Kyoung Hee Kang; Junghwan Do; Yong Sun Park
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 808 - 812
• a: 9.4945 ± 0.0019 Å
• b: 10.87 ± 0.002 Å
• c: 12.264 ± 0.003 Å
• α: 90°
• β: 111.75 ± 0.03°
• γ: 90°
• Cell volume: 1175.6 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0836
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1485
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No