Information card for entry 4023527

Structure parameters

• Formula: C53 H42 Br8 Cl4 O4
• Calculated formula: C53 H42 Br8 Cl4 O4
• Title of publication: Synthesis and Structure of Spirocyclic Tetraethers Derived from [1,1'-Binaphthalene]-2,2'-diol and Pentaerythritol
• Authors of publication: Tao Tu; Thierry Maris; James D. Wuest
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 5255 - 5263
• a: 11.2577 ± 0.0004 Å
• b: 16.6181 ± 0.0006 Å
• c: 28.4719 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5326.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0518
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1452
• Weighted residual factors for all reflections included in the refinement: 0.1454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No