Information card for entry 2227186

Structure parameters

• Chemical name: 3,3,9,9-Tetraphenyl-2,4,8,10-tetraoxaspiro[5.5]undecane
• Formula: C31 H28 O4
• Calculated formula: C31 H28 O4
• SMILES: c1ccc(cc1)C1(OCC2(CO1)COC(OC2)(c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: 3,3,9,9-Tetraphenyl-2,4,8,10-tetraoxaspiro[5.5]undecane
• Authors of publication: Sun, Xiaoqiang; Chen, Liang; Jiang, Yan; Li, Zhengyi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o3035
• a: 13.509 ± 0.003 Å
• b: 13.79 ± 0.003 Å
• c: 15.626 ± 0.005 Å
• α: 102.327 ± 0.007°
• β: 104.199 ± 0.006°
• γ: 112.17 ± 0.004°
• Cell volume: 2456.8 ± 1.1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0936
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1432
• Weighted residual factors for all reflections included in the refinement: 0.1955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes