Information card for entry 7213665

Structure parameters

• Formula: C82 H50 Br6 N12 O14
• Calculated formula: C82 H50 Br6 N12 O14
• Title of publication: Halogen bonding directed supramolecular assembly in bromo-substituted trezimides and tennimides
• Authors of publication: Mocilac, Pavle; Gallagher, John F.
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 10
• Pages of publication: 1893
• a: 10.944 ± 0.0003 Å
• b: 65.6499 ± 0.0013 Å
• c: 11.2294 ± 0.0003 Å
• α: 90°
• β: 110.447 ± 0.003°
• γ: 90°
• Cell volume: 7559.7 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1237
• Residual factor for significantly intense reflections: 0.0747
• Weighted residual factors for significantly intense reflections: 0.1398
• Weighted residual factors for all reflections included in the refinement: 0.1587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No