Information card for entry 4113697

Structure parameters

• Chemical name: (E)-penta-2,4-dienoic acid
• Formula: C5 H6 O2
• Calculated formula: C5 H6 O2
• Title of publication: Polyunsaturated Dicarboxylate Tethers Connecting Dimolybdenum Redox and Chromophoric Centers: Syntheses, Structures, and Electrochemistry
• Authors of publication: F. Albert Cotton; James P. Donahue; Carlos A. Murillo
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 5436 - 5450
• a: 10.2246 ± 0.001 Å
• b: 16.531 ± 0.002 Å
• c: 6.2439 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1055.36 ± 0.19 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 3
• Space group number: 72
• Hermann-Mauguin space group symbol: I b a m
• Hall space group symbol: -I 2 2c
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for all reflections: 0.1181
• Weighted residual factors for significantly intense reflections: 0.1094
• Goodness-of-fit parameter for all reflections: 1.077
• Goodness-of-fit parameter for significantly intense reflections: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No