Information card for entry 2209548

Structure parameters

• Chemical name: 3,9-Diphenyl-2,4,8,10-tetraoxaspiro[5.5]undecane
• Formula: C19 H20 O4
• Calculated formula: C19 H20 O4
• SMILES: O1C(OCC2(C1)COC(OC2)c1ccccc1)c1ccccc1
• Title of publication: 3,9-Diphenyl-2,4,8,10-tetraoxaspiro[5.5]undecane
• Authors of publication: Dong-Ying Yan; Ji-Kui Wang; Li-Juan Liu; Shan Liu; Jin-Tang Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o3062 - o3063
• a: 9.189 ± 0.0018 Å
• b: 11.483 ± 0.002 Å
• c: 15.449 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1630.1 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 3
• 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: 0.0687
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes