Information card for entry 1549429

Structure parameters

• Formula: C58 H48 Br2 Cu N4 O4
• Calculated formula: C58 H48 Br2 Cu N4 O4
• Title of publication: Polymerization of acrylates based on n-type organic semiconductors using Cu(0)-RDRP
• Authors of publication: Tonge, Christopher M.; Sauvé, Ethan R.; Paisley, Nathan R.; Heyes, Jordan E.; Hudson, Zachary M.
• Journal of publication: Polymer Chemistry
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 24
• Pages of publication: 3359
• a: 16.4411 ± 0.0018 Å
• b: 8.849 ± 0.001 Å
• c: 18.948 ± 0.002 Å
• α: 90°
• β: 115.172 ± 0.002°
• γ: 90°
• Cell volume: 2494.9 ± 0.5 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0811
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1264
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No