Information card for entry 7225242

Structure parameters

• Formula: C34 H28 Cl2 O8
• Calculated formula: C34 H28 Cl2 O8
• Title of publication: Halogen bonding influences perylene-core twists in non-core substituted perylene tetraesters
• Authors of publication: Wojciechowski, Jonathan P.; Martin, Adam D.; Bhadbhade, Mohan; Webb, James E. A.; Thordarson, Pall
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 24
• Pages of publication: 4513
• a: 26.689 ± 0.005 Å
• b: 15.869 ± 0.003 Å
• c: 7.169 ± 0.0014 Å
• α: 90°
• β: 101.83 ± 0.03°
• γ: 90°
• Cell volume: 2971.8 ± 1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.1024
• Residual factor for significantly intense reflections: 0.0884
• Weighted residual factors for significantly intense reflections: 0.2488
• Weighted residual factors for all reflections included in the refinement: 0.2597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.768
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No