Information card for entry 4508790

Structure parameters

• Chemical name: 1,1'-binaphthyl-2,2'-dicarboxylic acid 1,4-dioxane clathrate
• Formula: C46 H32 O9
• Calculated formula: C46 H32 O9
• Title of publication: Growth of Six Different Crystals of the Versatile Host Compound 1,1‘-Binaphthyl-2,2‘-dicarboxylic Acid from Solutions in 1,4-Dioxane
• Authors of publication: Izotova, Lidiya; Ibragimov, Bakhtiyar; Ashurov, Jamshid; Talipov, Samat; Weber, Edwin
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 11
• Pages of publication: 2523
• a: 9.4197 ± 0.0019 Å
• b: 13.256 ± 0.003 Å
• c: 15.673 ± 0.003 Å
• α: 101.18 ± 0.03°
• β: 105.51 ± 0.03°
• γ: 90.17 ± 0.03°
• Cell volume: 1846.9 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1129
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1331
• Weighted residual factors for all reflections included in the refinement: 0.1614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No