Information card for entry 2221489

Structure parameters

• Chemical name: 3-Mesityl-2-oxo-1-oxaspiro[4.4]non-3-en-4-yl 4-chlorobenzoate
• Formula: C24 H23 Cl O4
• Calculated formula: C24 H23 Cl O4
• SMILES: Clc1ccc(C(=O)OC2=C(C(=O)OC32CCCC3)c2c(cc(cc2C)C)C)cc1
• Title of publication: 3-Mesityl-2-oxo-1-oxaspiro[4.4]non-3-en-4-yl 4-chlorobenzoate
• Authors of publication: Ji, Ming-Hua; Xia, Min; Zhu, Guo-Nian; Zhao, Jin-Hao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o705
• a: 6.488 ± 0.0002 Å
• b: 22.9397 ± 0.0008 Å
• c: 14.6305 ± 0.0006 Å
• α: 90°
• β: 91.533 ± 0.001°
• γ: 90°
• Cell volume: 2176.72 ± 0.14 ų
• Cell temperature: 296 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes