Information card for entry 1508334

Structure parameters

• Formula: C23 H18 N2 O
• Calculated formula: C23 H18 N2 O
• SMILES: N1([C@@H]([C@@H](c2c1ccc(c2)C#N)C(=O)c1ccccc1)c1ccccc1)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: 11.435 ± 0.006 Å
• b: 6.33 ± 0.004 Å
• c: 12.887 ± 0.007 Å
• α: 90°
• β: 105.373 ± 0.011°
• γ: 90°
• Cell volume: 899.4 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0791
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1511
• Weighted residual factors for all reflections included in the refinement: 0.1614
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No