Information card for entry 2020461

Structure parameters

• Chemical name: (<i>S</i>)-(–)-2-{[(1,2,3,4-Tetrahydronaphthalen-1-yl)imino]methyl}naphthalene
• Formula: C21 H19 N
• Calculated formula: C21 H19 N
• SMILES: N(=C\c1cc2ccccc2cc1)/[C@@H]1c2ccccc2CCC1
• 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: 7.7571 ± 0.0013 Å
• b: 5.9246 ± 0.001 Å
• c: 17.82 ± 0.004 Å
• α: 90°
• β: 92.682 ± 0.016°
• γ: 90°
• Cell volume: 818.1 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.108
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.1566
• Weighted residual factors for all reflections included in the refinement: 0.1751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.442
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes