Information card for entry 4115046

Structure parameters

• Formula: C22 H22 O6
• Calculated formula: C20 H16 O6
• SMILES: O=C(OCc1ccc(O)cc1)/C=C/C=C\C(=O)OCc1ccc(O)cc1
• Title of publication: First Disyndiotactic Polymer from a 1,4-Disubstituted Butadiene by Alternate Molecular Stacking in the Crystalline State
• Authors of publication: Toshihiro Tanaka; Akikazu Matsumoto
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 9676 - 9677
• a: 6.6919 ± 0.0001 Å
• b: 10.784 ± 0.001 Å
• c: 14.007 ± 0.0008 Å
• α: 107.237 ± 0.005°
• β: 99.272 ± 0.003°
• γ: 93.847 ± 0.004°
• Cell volume: 945.71 ± 0.11 ų
• Cell temperature: 203.1 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 significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.209
• Goodness-of-fit parameter for all reflections included in the refinement: 2.424
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No