Information card for entry 7231077

Structure parameters

• Formula: C30 H36 Cl3 N7 O3
• Calculated formula: C30 H36 Cl3 N7 O3
• Title of publication: Halo-methylphenyl substituted neutral tripodal receptors for cation-assisted encapsulation of anionic guests of varied dimensionality
• Authors of publication: Manna, Utsab; Das, Gopal
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 31
• Pages of publication: 4406
• a: 13.436 ± 0.003 Å
• b: 19.819 ± 0.003 Å
• c: 13.591 ± 0.003 Å
• α: 90°
• β: 118.29 ± 0.02°
• γ: 90°
• Cell volume: 3186.9 ± 1.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.3471
• Residual factor for significantly intense reflections: 0.1065
• Weighted residual factors for significantly intense reflections: 0.155
• Weighted residual factors for all reflections included in the refinement: 0.2133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No