Information card for entry 7114023

Structure parameters

• Formula: C22 H30 F6 N5 O4 P
• Calculated formula: C22 H30.01 F6 N5 O4 P
• Title of publication: Pendant arm pyrrolic amide cleft anion receptors
• Authors of publication: Navakhun, Korakot; Gale, Philip A.; Camiolo, Salvatore; Light, Mark E.; Hursthouse, Michael B.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 18
• Pages of publication: 2084
• a: 16.1973 ± 0.0005 Å
• b: 9.3378 ± 0.0002 Å
• c: 34.0104 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5144 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1738
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1377
• Weighted residual factors for all reflections included in the refinement: 0.1769
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No