Information card for entry 7229648

Structure parameters

• Chemical name: Adipic acid
• Formula: C6 H10 O4
• Calculated formula: C6 H10 O4
• SMILES: C(CC(=O)O)CCC(=O)O
• Title of publication: An organoferroelasticity driven by molecular conformational change.
• Authors of publication: Mir, Sajjad Husain; Takasaki, Yuichi; Takamizawa, Satoshi
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 7
• Pages of publication: 4631 - 4635
• a: 7.3663 ± 0.0012 Å
• b: 5.1555 ± 0.0008 Å
• c: 10.1436 ± 0.0013 Å
• α: 90°
• β: 112.329 ± 0.009°
• γ: 90°
• Cell volume: 356.34 ± 0.1 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0997
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No