Information card for entry 1508335

Structure parameters

• Formula: C30 H25 N O2
• Calculated formula: C30 H25 N O2
• SMILES: N1(c2ccccc2[C@@]([C@@H]1c1ccccc1)(C(=O)c1ccccc1)C(=O)c1ccc(cc1)C)C.N1(c2ccccc2[C@]([C@H]1c1ccccc1)(C(=O)c1ccccc1)C(=O)c1ccc(cc1)C)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: 9.5516 ± 0.001 Å
• b: 9.6932 ± 0.001 Å
• c: 13.1354 ± 0.0013 Å
• α: 71.896 ± 0.002°
• β: 82.514 ± 0.002°
• γ: 86.686 ± 0.002°
• Cell volume: 1145.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0775
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1585
• Weighted residual factors for all reflections included in the refinement: 0.1716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No