Information card for entry 7228948

Structure parameters

• Formula: C40 H50 Cl F12 N5 O3
• Calculated formula: C40 H50 Cl F12 N5 O3
• Title of publication: Anion Binding Consistency by influence of Aromatic meta-disubstitution of a Simple Urea Receptor: Regular Entrapment of Hydrated Halide and Oxyanion clusters
• Authors of publication: Manna, Utsab; Das, Gopal
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 25.9705 ± 0.0011 Å
• b: 8.7538 ± 0.0005 Å
• c: 45.267 ± 0.003 Å
• α: 90°
• β: 104.053 ± 0.005°
• γ: 90°
• Cell volume: 9983 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 2/c 1 1
• Hall space group symbol: -I 2yc
• Residual factor for all reflections: 0.1665
• Residual factor for significantly intense reflections: 0.0969
• Weighted residual factors for significantly intense reflections: 0.2723
• Weighted residual factors for all reflections included in the refinement: 0.3049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.186
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No