Information card for entry 7150628

Structure parameters

• Formula: C27 H30 O8
• Calculated formula: C27 H30 O8
• SMILES: O1C(=O)C2([C@@H](CC3(OCCO3)C[C@@H]2c2ccc(OC)cc2)c2ccc(OC)cc2)C(=O)OC1(C)C
• 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: 9.977 ± 0.005 Å
• b: 20.162 ± 0.009 Å
• c: 12.508 ± 0.006 Å
• α: 90°
• β: 94.934 ± 0.008°
• γ: 90°
• Cell volume: 2507 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2361
• Residual factor for significantly intense reflections: 0.0747
• Weighted residual factors for significantly intense reflections: 0.1392
• Weighted residual factors for all reflections included in the refinement: 0.1874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No