Information card for entry 4113164

Structure parameters

• Common name: CP3
• Chemical name: 1,8-Bis(3,3'-bis(3,5-dimethylphenyl)-9,9'-diacridyl) naphthalene
• Formula: C52 H38 N2
• Calculated formula: C52 H38 N2
• SMILES: c1(cccc2c1c(ccc2)c1c2ccc(cc2nc2ccccc12)c1cc(cc(c1)C)C)c1c2ccc(cc2nc2ccccc12)c1cc(cc(c1)C)C
• Title of publication: Enantioselective Sensing of Chiral Carboxylic Acids
• Authors of publication: Xuefeng Mei; Christian Wolf
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 14736 - 14737
• a: 16.1895 ± 0.0013 Å
• b: 10.3998 ± 0.0009 Å
• c: 21.2941 ± 0.0018 Å
• α: 90°
• β: 92.68 ± 0.002°
• γ: 90°
• Cell volume: 3581.3 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No