Information card for entry 1554149

Structure parameters

• Formula: C46 H38 O8
• Calculated formula: C46 H38 O8
• SMILES: c1c(/C=C/C(=O)OCc2c(cc(COC(=O)/C=C/c3ccccc3)c(c2)COC(=O)/C=C/c2ccccc2)COC(=O)/C=C/c2ccccc2)cccc1
• 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: 5.8035 ± 0.0006 Å
• b: 12.8761 ± 0.0015 Å
• c: 13.1702 ± 0.0013 Å
• α: 66.778 ± 0.004°
• β: 82.336 ± 0.005°
• γ: 86.696 ± 0.005°
• Cell volume: 896.34 ± 0.17 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: 0.0376
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.0914
• 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