Information card for entry 1554153

Structure parameters

• Formula: C54 H46 O8
• Calculated formula: C54 H46 O8
• SMILES: C(=C\C=C\C(=O)OCc1cc(c(COC(=O)/C=C/C=C/c2ccccc2)cc1COC(=O)/C=C/C=C/c1ccccc1)COC(=O)/C=C/C=C/c1ccccc1)/c1ccccc1
• Title of publication: Stereoregular Two-Dimensional Polymers Constructed by Topochemical Polymerization
• Authors of publication: Wang, Zhihan; Randazzo, Katelyn; Hou, Xiaodong; Simpson, Jeffrey; Struppe, Jochem; Ugrinov, Angel; Kastern, Brent; Wysocki, Erin; Chu, Qianli R.
• Journal of publication: Macromolecules
• Year of publication: 2015
• Journal volume: 48
• Journal issue: 9
• Pages of publication: 2894
• a: 5.8334 ± 0.0002 Å
• b: 14.4688 ± 0.0005 Å
• c: 14.48 ± 0.0005 Å
• α: 119.601 ± 0.001°
• β: 90.053 ± 0.002°
• γ: 95.149 ± 0.002°
• Cell volume: 1056.9 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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 all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1305
• Weighted residual factors for all reflections included in the refinement: 0.1483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No