Information card for entry 7154901

Structure parameters

• Chemical name: N-(2-(hydroxymethyl)phenyl)-2-naphthamide
• Formula: C18 H15 N O2
• Calculated formula: C18 H15 N O2
• SMILES: O=C(Nc1c(CO)cccc1)c1cc2c(cc1)cccc2
• 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: 7.1207 ± 0.0005 Å
• b: 7.6201 ± 0.0005 Å
• c: 25.3427 ± 0.0017 Å
• α: 90°
• β: 96.993 ± 0.001°
• γ: 90°
• Cell volume: 1364.88 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No