Information card for entry 2232056

Structure parameters

• Chemical name: 3-<i>tert</i>-Butyl-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl 4-chlorobenzoate
• Formula: C20 H23 Cl O4
• Calculated formula: C20 H23 Cl O4
• SMILES: Clc1ccc(C(=O)OC2=C(C(C)(C)C)C(=O)OC32CCCCC3)cc1
• Title of publication: 3-<i>tert</i>-Butyl-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl 4-chlorobenzoate
• Authors of publication: Wang, Zong-cheng; Cheng, Jing-li; Zhao, Jin-hao; Yu, Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2804
• a: 36.8219 ± 0.0015 Å
• b: 15.9526 ± 0.0007 Å
• c: 25.9325 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15232.9 ± 1.1 ų
• Cell temperature: 296 ± 1 K
• Ambient diffraction temperature: 296 ± 1 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0841
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes