Information card for entry 2020454

Structure parameters

• Chemical name: (<i>S</i>)-(+)-2-({[(4-Methylphenyl)ethyl]imino}methyl)naphthalene
• Formula: C20 H19 N
• Calculated formula: C20 H19 N
• SMILES: N(=C\c1cc2ccccc2cc1)/[C@@H](C)c1ccc(cc1)C
• Title of publication: Crystal structures of ten enantiopure Schiff bases bearing a naphthyl group
• Authors of publication: Hernández-Téllez, Guadalupe; Moreno, Gloria E.; Bernès, Sylvain; Mendoza, Angel; Portillo, Oscar; Sharma, Pankaj; Gutiérrez, René
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 4
• Pages of publication: 583
• a: 6.0946 ± 0.0005 Å
• b: 7.5732 ± 0.0005 Å
• c: 34.046 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1571.4 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• 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: 0.068
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes