Information card for entry 2216239

Structure parameters

• Chemical name: Methyl 4-[(1-methylcyclopent-3-en-1-yl)carbonyl]benzoate
• Formula: C15 H16 O3
• Calculated formula: C15 H16 O3
• Title of publication: Methyl 4-[(1-methylcyclopent-3-en-1-yl)carbonyl]benzoate
• Authors of publication: Yang, Chao; Xia, Wujiong; Zhang, Xiao; Li, Bing; Gou, Baoquan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4729 - o4729
• a: 16.6215 ± 0.0006 Å
• b: 6.652 ± 0.0002 Å
• c: 11.5581 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1277.94 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes