Information card for entry 2004177

Structure parameters

• Formula: C17 H22 O8
• Calculated formula: C17 H22 O8
• SMILES: O=C(OC)/C=C/1CC(C\C1=C/C(=O)OC)(C(=O)OCC)C(=O)OCC
• Title of publication: Dimethyl 4,4-Bis(ethoxycarbonyl)-1,2-cyclopentanediylidenediacetate
• Authors of publication: Bocelli, G.; Cantoni, A.; Costa, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 11
• Pages of publication: 2374 - 2376
• a: 9.61 ± 0.003 Å
• b: 11.468 ± 0.003 Å
• c: 9.043 ± 0.002 Å
• α: 109.26 ± 0.03°
• β: 98.36 ± 0.02°
• γ: 73.59 ± 0.03°
• Cell volume: 901 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1558
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for all reflections: 0.1071
• Weighted residual factors for significantly intense reflections: 0.0947
• Goodness-of-fit parameter for all reflections: 0.7
• Goodness-of-fit parameter for significantly intense reflections: 1.091
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No