Information card for entry 7113167

Structure parameters

• Common name: Dibenzyl (Z,Z)-muconate
• Chemical name: Dibenzyl (Z,Z)-muconate
• Formula: C20 H18 O4
• Calculated formula: C20 H18 O4
• SMILES: C(=C\C(=O)OCc1ccccc1)\C=C/C(=O)OCc1ccccc1
• Title of publication: Direct observation of change in the molecular structure of benzyl (Z,Z)-muconate during photoisomerization in the solid state
• Authors of publication: Furukawa, Daisuke; Kobatake, Seiya; Matsumoto, Akikazu
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2008
• Journal issue: 1
• Pages of publication: 55 - 57
• a: 10.332 ± 0.004 Å
• b: 5.682 ± 0.002 Å
• c: 14.791 ± 0.007 Å
• α: 90°
• β: 105.86 ± 0.04°
• γ: 90°
• Cell volume: 835.3 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0835
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1214
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7102780
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No