Information card for entry 2222002

Structure parameters

• Chemical name: 1,3-Bis{(+)-(<i>S</i>)-[1-(1-naphthyl)ethyl]iminomethyl}benzene dichloromethane solvate
• Formula: C33 H30 Cl2 N2
• Calculated formula: C33 H30 Cl2 N2
• SMILES: C[C@@H](c1cccc2c1cccc2)/N=C/c1cccc(c1)/C=N/[C@H](c1cccc2c1cccc2)C.ClCCl
• Title of publication: 1,3-Bis{(+)-(<i>S</i>)-[1-(1-naphthyl)ethyl]iminomethyl}benzene dichloromethane solvate
• Authors of publication: Espinosa Leija, Armando; Hernández, Guadalupe; Cruz, Sandra; Bernès, Sylvain; Gutiérrez, René
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1316
• a: 8.55 ± 0.002 Å
• b: 20.706 ± 0.006 Å
• c: 7.972 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1411.3 ± 0.7 ų
• Cell temperature: 298 ± 1 K
• Ambient diffraction temperature: 298 ± 1 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.1095
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1451
• Weighted residual factors for all reflections included in the refinement: 0.1863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes