Information card for entry 2209992

Structure parameters

• Common name: 2,2-Bis(4-chloroformylbenzyl)-1,1,1,3,3,3-hexafluoropropane
• Chemical name: 4,4'-(1,1,1,3,3,3-Hexafluoropropane-2,2-diyl)bis(benzoyl chloride)
• Formula: C17 H8 Cl2 F6 O2
• Calculated formula: C17 H8 Cl2 F6 O2
• SMILES: C(C(C(F)(F)F)(c1ccc(cc1)C(=O)Cl)c1ccc(cc1)C(=O)Cl)(F)(F)F
• Title of publication: 4,4'-(1,1,1,3,3,3-Hexafluoropropane-2,2-diyl)bis(benzoyl chloride)
• Authors of publication: Rodríguez de Barbarín, Cecilia; Bernès, Sylvain; Macossay, Javier; Cassidy, Patrick E.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3602 - o3603
• a: 19.338 ± 0.009 Å
• b: 12.299 ± 0.004 Å
• c: 14.677 ± 0.004 Å
• α: 90°
• β: 98.12 ± 0.03°
• γ: 90°
• Cell volume: 3456 ± 2 ų
• Cell temperature: 298 ± 1 K
• Ambient diffraction temperature: 298 ± 1 K
• Number of distinct elements: 5
• 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: 0.117
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1534
• Weighted residual factors for all reflections included in the refinement: 0.1955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes