Information card for entry 7150627

Structure parameters

• Formula: C25 H24 F2 O6
• Calculated formula: C25 H24 F2 O6
• SMILES: Fc1ccc([C@H]2C3(C(=O)OC(OC3=O)(C)C)[C@H](CC3(OCCO3)C2)c2ccc(F)cc2)cc1
• Title of publication: A new domino autocatalytic reaction leading to polyfunctionalized spiro[5.5]undecanes and dispiro[4.2.5.2]pentadecanes
• Authors of publication: Jiang, Bo; Hao, Wen-Juan; Zhang, Jin-Peng; Tu, Shu-Jiang; Shi, Feng
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2009
• Journal volume: 7
• Journal issue: 10
• Pages of publication: 2195 - 2201
• a: 8.146 ± 0.004 Å
• b: 10.714 ± 0.005 Å
• c: 13.58 ± 0.007 Å
• α: 69.23 ± 0.007°
• β: 85.432 ± 0.007°
• γ: 89.137 ± 0.007°
• Cell volume: 1104.6 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0846
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.1562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No