Information card for entry 2020462

Structure parameters

• Chemical name: (+)-2-({[(1<i>S</i>,2<i>S</i>,3<i>S</i>,5<i>R</i>)-2,6,6-Trimethylbicyclo[3.1.1]hept-3-yl]imino}methyl}naphthalene
• Formula: C21 H25 N
• Calculated formula: C21 H25 N
• SMILES: N(=C\c1cc2ccccc2cc1)/[C@@H]1[C@H]([C@H]2C([C@@H](C1)C2)(C)C)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: 6.32427 ± 0.00018 Å
• b: 14.4559 ± 0.0003 Å
• c: 18.5421 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1695.17 ± 0.08 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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: 0.0526
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes