Information card for entry 1503187

Structure parameters

• Formula: C16 H15 Cl N2 O
• Calculated formula: C16 H15 Cl N2 O
• SMILES: Clc1cc([C@H](N2NC(=O)CC2)c2ccccc2)ccc1
• Title of publication: Rhodium-catalyzed asymmetric arylation of azomethine imines.
• Authors of publication: Shintani, Ryo; Soh, Ying-Teck; Hayashi, Tamio
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 18
• Pages of publication: 4106 - 4109
• a: 9.71 ± 0.003 Å
• b: 16.275 ± 0.005 Å
• c: 17.801 ± 0.005 Å
• α: 90°
• β: 92.955 ± 0.01°
• γ: 90°
• Cell volume: 2809.4 ± 1.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0954
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.1729
• Weighted residual factors for all reflections included in the refinement: 0.1897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No