Information card for entry 2216512

Structure parameters

• Chemical name: 1,5-Bis(2,3,4,5-tetrafluorobenzoyl)-1,5-diazacyclooctane
• Formula: C20 H14 F8 N2 O2
• Calculated formula: C20 H14 F8 N2 O2
• SMILES: Fc1c(F)c(F)c(F)cc1C(=O)N1CCCN(CCC1)C(=O)c1c(F)c(F)c(F)c(F)c1
• Title of publication: 1,5-Bis(2,3,4,5-tetrafluorobenzoyl)-1,5-diazacyclooctane
• Authors of publication: Dong, Jie; Tian, Lai-Jin; Qu, Yuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4850 - o4850
• a: 14.8085 ± 0.0011 Å
• b: 20.5518 ± 0.0016 Å
• c: 12.7062 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3867 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1334
• Weighted residual factors for all reflections included in the refinement: 0.1464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes