Information card for entry 2209705

Structure parameters

• Chemical name: Ethyl 5-methyl-2,2-diphenylcyclopropanespiro-3(4H)-furan-4-carboxylate
• Formula: C22 H22 O3
• Calculated formula: C22 H22 O3
• SMILES: O(CC)C(=O)C1=C(OC(c2ccccc2)(c2ccccc2)C21CC2)C
• Title of publication: Ethyl 5-methyl-2,2-diphenylcyclopropanespiro-3(4<i>H</i>)-furan-4-carboxylate
• Authors of publication: Zhu, Ying-Hong; Ma, Chun-An; Xu, Ying-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o2795 - o2796
• a: 12.59 ± 0.003 Å
• b: 9.979 ± 0.002 Å
• c: 15.193 ± 0.003 Å
• α: 90°
• β: 105.29 ± 0.03°
• γ: 90°
• Cell volume: 1841.2 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.071
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes