Information card for entry 7202801

Structure parameters

• Formula: C13 H9 Cl F8 N2 O
• Calculated formula: C13 H9 Cl F8 N2 O
• SMILES: [Cl-].Fc1c([NH3+])c(F)c(F)c(c1F)c1c(F)c(F)c(N)c(F)c1F.OC
• Title of publication: Structural consequences of benzidine dihydrochloride substitution in the solid state
• Authors of publication: Dobrzycki, Lukasz; Woźniak, Krzysztof
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 11
• Pages of publication: 1029
• a: 12.8813 ± 0.0006 Å
• b: 7.2351 ± 0.0002 Å
• c: 15.5983 ± 0.0008 Å
• α: 90°
• β: 101.215 ± 0.004°
• γ: 90°
• Cell volume: 1425.96 ± 0.11 ų
• Cell temperature: 104 ± 2 K
• Ambient diffraction temperature: 104 ± 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: 0.0301
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0709
• Weighted residual factors for all reflections included in the refinement: 0.0721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No