Information card for entry 2215531

Structure parameters

• Chemical name: 3,3'-(2-Oxocyclopentane-1,3-diyl)dipropanoic acid
• Formula: C11 H16 O5
• Calculated formula: C11 H16 O5
• SMILES: OC(=O)CC[C@H]1CC[C@@H](C1=O)CCC(=O)O.OC(=O)CC[C@@H]1CC[C@H](C1=O)CCC(=O)O
• Title of publication: 3,3'-(2-Oxocyclopentane-1,3-diyl)dipropanoic acid
• Authors of publication: Yan-xue Chen; Jin-hui Yang; Yi Deng; Guang-bin Li; Wei Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o4054 - o4054
• a: 6.7644 ± 0.0017 Å
• b: 9.386 ± 0.002 Å
• c: 9.855 ± 0.003 Å
• α: 95.51 ± 0.004°
• β: 101.915 ± 0.004°
• γ: 104.563 ± 0.004°
• Cell volume: 585.3 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0692
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.1264
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes