Information card for entry 1502273

Structure parameters

• Formula: C23 H22 N2 O
• Calculated formula: C23 H22 N2 O
• SMILES: O=C1N(Cc2ccccc2)[C@H](c2c1ccc(N(C)C)c2)c1ccccc1
• Title of publication: Nickel(0)-catalyzed cyclization of N-benzoylaminals for isoindolinone synthesis.
• Authors of publication: Shacklady-McAtee, Danielle M; Dasgupta, Srimoyee; Watson, Mary P.
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 13
• Pages of publication: 3490 - 3493
• a: 9.928 ± 0.003 Å
• b: 10.295 ± 0.003 Å
• c: 17.911 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1830.7 ± 0.9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1002
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No