Information card for entry 1554150

Structure parameters

• Formula: C18 H14 O4
• Calculated formula: C18 H16.998 O4
• 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: 15.7822 ± 0.0006 Å
• b: 5.6013 ± 0.0002 Å
• c: 16.275 ± 0.0005 Å
• α: 90°
• β: 99.255 ± 0.003°
• γ: 90°
• Cell volume: 1419.99 ± 0.09 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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 all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1345
• Weighted residual factors for all reflections included in the refinement: 0.1382
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No