Information card for entry 7225240

Structure parameters

• Formula: C33 H30 Cl2 O8
• Calculated formula: C33 H30 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: 7.488 ± 0.0015 Å
• b: 13.035 ± 0.003 Å
• c: 15.569 ± 0.003 Å
• α: 105.68 ± 0.03°
• β: 101.8 ± 0.03°
• γ: 90.67 ± 0.03°
• Cell volume: 1428.5 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1346
• Weighted residual factors for all reflections included in the refinement: 0.1374
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No