Information card for entry 4020002

Structure parameters

• Chemical name: 7,7'-dihydroxy-8,8'-biquinolyl dimethanol solvate
• Formula: C20 H20 N2 O4
• Calculated formula: C20 H20 N2 O4
• Title of publication: Harnessing Anionic Rearrangements on the Benzenoid Ring of Quinoline for the Synthesis of 6,6'-Disubstituted 7,7'-Dihydroxy-8,8'-biquinolyls
• Authors of publication: Blakemore, Paul R.; Kilner, Colin; Milicevic, Selena D.
• Journal of publication: The Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Journal issue: 1
• Pages of publication: 373 - 376
• a: 9.6715 ± 0.0003 Å
• b: 9.9913 ± 0.0003 Å
• c: 10.0792 ± 0.0004 Å
• α: 69.312 ± 0.0014°
• β: 85.197 ± 0.0015°
• γ: 72.302 ± 0.0016°
• Cell volume: 867.73 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1072
• Residual factor for significantly intense reflections: 0.0843
• Weighted residual factors for significantly intense reflections: 0.2792
• Weighted residual factors for all reflections included in the refinement: 0.3006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.213
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No