Information card for entry 7154902

Structure parameters

• Chemical name: (R)-N-(2-(((1-(Naphthalen-2-yl)ethyl)imino)methyl)phenyl)-2-naphthamide
• Formula: C30 H24 N2 O
• Calculated formula: C30 H24 N2 O
• SMILES: c12c(cccc1)cc(cc2)C(=O)Nc1c(cccc1)/C=N/[C@H](c1ccc2ccccc2c1)C
• Title of publication: Quantitative chirality sensing of amines and amino alcohols via Schiff base formation with a stereodynamic UV/CD probe.
• Authors of publication: De Los Santos, Zeus A.; Ding, Ransheng; Wolf, Christian
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 6
• Pages of publication: 1934 - 1939
• a: 5.8608 ± 0.0011 Å
• b: 13.688 ± 0.003 Å
• c: 27.498 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2206 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1676
• Residual factor for significantly intense reflections: 0.1288
• Weighted residual factors for significantly intense reflections: 0.2958
• Weighted residual factors for all reflections included in the refinement: 0.3111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No