Information card for entry 7239416

Structure parameters

• Formula: C20 H25 F12 N O2
• Calculated formula: C20 H25 F12 N O2
• Title of publication: An anion-binding fluorinated alcohol isophthalamide isostere
• Authors of publication: Busschaert, Nathalie; Jaramillo-Garcia, Javier; Light, Mark E.; Herniman, Julie; Langley, G. John; Gale, Philip A.
• Journal of publication: RSC Advances
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 11
• Pages of publication: 5389
• a: 7.7525 ± 0.0006 Å
• b: 14.2782 ± 0.001 Å
• c: 10.7005 ± 0.0008 Å
• α: 90°
• β: 107.11 ± 0.007°
• γ: 90°
• Cell volume: 1132.03 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0333
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No