Information card for entry 7231078

Structure parameters

• Formula: C46 H72 Br Cl3 N8 O3
• Calculated formula: C46 H72 Br Cl3 N8 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: 16.7927 ± 0.0012 Å
• b: 21.2995 ± 0.0013 Å
• c: 14.8349 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5306.1 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.2022
• Residual factor for significantly intense reflections: 0.0901
• Weighted residual factors for significantly intense reflections: 0.1589
• Weighted residual factors for all reflections included in the refinement: 0.2352
• Goodness-of-fit parameter for all reflections included in the refinement: 0.836
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No