Information card for entry 7151322

Structure parameters

• Formula: C63.53 H64.29 Cl N7.76 O6
• Calculated formula: C63.528 H64.292 Cl N7.764 O6
• Title of publication: Practical synthesis of chiral 9,9'-spirobixanthene-1,1'-diol.
• Authors of publication: Zhang, Weicheng; Wu, Shulin; Zhang, Zhaoguo; Yennawar, Hemant; Zhang, Xumu
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2006
• Journal volume: 4
• Journal issue: 24
• Pages of publication: 4474 - 4477
• a: 9.2512 ± 0.0015 Å
• b: 19.807 ± 0.003 Å
• c: 34.048 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6238.9 ± 1.7 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0795
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1627
• Weighted residual factors for all reflections included in the refinement: 0.169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No