Information card for entry 7151602

Structure parameters

• Common name: 2,2-dihydroxyl-1,1'-binaphthyl di-2-methylquinoline
• Chemical name: 2,2-dihydroxyl-1,1'-binaphthyl di-2-methylquinoline
• Formula: C40 H32 N2 O2
• Calculated formula: C40 H32 N2 O2
• SMILES: c1(c(ccc2ccccc12)O)c1c(ccc2ccccc12)O.c1cccc2c1ccc(n2)C.c1(ccc2ccccc2n1)C
• Title of publication: Inclusion of quinolines by binaphthol: structures and selectivity.
• Authors of publication: Caira, Mino R.; Paul Chang, Y.; Nassimbeni, Luigi R.; Su, Hong
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2004
• Journal volume: 2
• Journal issue: 5
• Pages of publication: 655 - 659
• a: 14.8402 ± 0.0003 Å
• b: 10.5377 ± 0.0002 Å
• c: 9.7304 ± 0.0002 Å
• α: 90°
• β: 99.443 ± 0.001°
• γ: 90°
• Cell volume: 1501.04 ± 0.05 ų
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No