Information card for entry 1508333

Structure parameters

• Formula: C23 H19 N O2
• Calculated formula: C23 H19 N O2
• SMILES: N1([C@@H]([C@H](c2c1cccc2)C(=O)c1ccccc1)c1ccccc1)C(=O)C.N1([C@H]([C@@H](c2c1cccc2)C(=O)c1ccccc1)c1ccccc1)C(=O)C
• Title of publication: Nucleophilic addition of grignard reagents to 3-acylindoles: stereoselective synthesis of highly substituted indoline scaffolds.
• Authors of publication: Wang, Lu; Shao, Yushang; Liu, Yuanhong
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 15
• Pages of publication: 3978 - 3981
• a: 8.0652 ± 0.0008 Å
• b: 10.5023 ± 0.001 Å
• c: 20.722 ± 0.002 Å
• α: 90°
• β: 93.013 ± 0.002°
• γ: 90°
• Cell volume: 1752.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0652
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.1256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No