Information card for entry 4115047

Structure parameters

• Formula: C22 H22 O6
• Calculated formula: C22 H22 O6
• 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: 35.117 ± 0.004 Å
• b: 5.798 ± 0.0006 Å
• c: 9.436 ± 0.001 Å
• α: 90°
• β: 99.321 ± 0.002°
• γ: 90°
• Cell volume: 1895.9 ± 0.4 ų
• Cell temperature: 296.1 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 0.892
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No