Information card for entry 4508792

Structure parameters

• Chemical name: 1,1'-binaphthyl-2,2'-dicarboxylic acid 1,4-dioxane clathrate
• Formula: C26 H22 O6
• Calculated formula: C26 H22 O6
• SMILES: O=C(O)c1ccc2ccccc2c1c1c(ccc2ccccc12)C(=O)O.O1CCOCC1
• 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: 10.994 ± 0.005 Å
• b: 13.215 ± 0.007 Å
• c: 16.591 ± 0.016 Å
• α: 99.8 ± 0.06°
• β: 107.79 ± 0.06°
• γ: 95.44 ± 0.04°
• Cell volume: 2234 ± 3 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: 0.1145
• Residual factor for significantly intense reflections: 0.0736
• Weighted residual factors for significantly intense reflections: 0.1692
• Weighted residual factors for all reflections included in the refinement: 0.2023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No