Information card for entry 7206368

Structure parameters

• Formula: C4 H5 Li O2
• Calculated formula: C4 H5 Li O2
• SMILES: [Li+].O=C([O-])/C=C/C
• Title of publication: Chemo- and stereospecific solid-state dimerization of lithium trans-2-butenoate and lithium trans-2-butenoate formamide solvate
• Authors of publication: Shang, Wen; Hickey, Magali B.; Enkelmann, Volker; Snider, Barry B.; Foxman, Bruce M.
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 13
• Pages of publication: 4339
• a: 8.7502 ± 0.0011 Å
• b: 5.059 ± 0.002 Å
• c: 21.53 ± 0.02 Å
• α: 90°
• β: 96.37 ± 0.03°
• γ: 90°
• Cell volume: 947.2 ± 1 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0981
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for all reflections: 0.119
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No