Information card for entry 7057857

Structure parameters

• Formula: C43 H66 Br3 F N8 O3
• Calculated formula: C43 H66 Br3 F N8 O3
• Title of publication: Neutral host‒guest capsular associations by a homologous halophenyl-substituted organic tris-urea receptor series: solid and solution state studies
• Authors of publication: Manna, Utsab; Das, Gopal
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 23
• Pages of publication: 19164
• a: 9.124 ± 0.005 Å
• b: 20.617 ± 0.011 Å
• c: 26.103 ± 0.014 Å
• α: 90°
• β: 90.927 ± 0.007°
• γ: 90°
• Cell volume: 4910 ± 5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2043
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1375
• Weighted residual factors for all reflections included in the refinement: 0.2099
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No