Information card for entry 7239417

Structure parameters

• Formula: C28 H42 Cl F12 N O2
• Calculated formula: C28 H42 Cl 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: 10.867 ± 0.009 Å
• b: 12.175 ± 0.008 Å
• c: 14.662 ± 0.012 Å
• α: 111.01 ± 0.04°
• β: 102.34 ± 0.07°
• γ: 101.96 ± 0.05°
• Cell volume: 1681 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No