Information card for entry 4023951

Structure parameters

• Formula: C65 H76 N4 O8
• Calculated formula: C65 H76 N4 O8
• SMILES: c12CN[C@@H]3CCCC[C@H]3NCc3c(O)c(c4c(c(cc5ccccc45)CN[C@@H]4CCCC[C@H]4NCc4c(O)c(c(c1O)c1ccccc1c2)c1ccccc1c4)O)c1ccccc1c3.O=C(C)C.O=C(C)C.O.O=C(C)C
• Title of publication: Enantioselective Fluorescent Recognition of Chiral Acids by Cyclohexane-1,2-diamine-Based Bisbinaphthyl Molecules
• Authors of publication: Zi-Bo Li; Jing Lin; Michal Sabat; Marilise Hyacinth; Lin Pu
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 4905 - 4916
• a: 11.975 ± 0.003 Å
• b: 20.307 ± 0.004 Å
• c: 23.856 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5801 ± 2 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 4
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0762
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No