Information card for entry 7057852

Structure parameters

• Formula: C27 H30 Br3 N7 O3
• Calculated formula: C27 H30 Br3 N7 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: 9.464 ± 0.002 Å
• b: 13.104 ± 0.003 Å
• c: 13.846 ± 0.003 Å
• α: 83.33 ± 0.014°
• β: 70.953 ± 0.014°
• γ: 70.07 ± 0.014°
• Cell volume: 1525.9 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.157
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.169
• Weighted residual factors for all reflections included in the refinement: 0.2228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No