Information card for entry 7206893

Structure parameters

• Formula: C240 H264 Br24 O24 S24
• Calculated formula: C240 H264 Br24 O24 S24
• Title of publication: Channel structure for guest inclusion based on hexameric assembly of thiacalix[4]arene analogue
• Authors of publication: Hamada, Fumio; Yamada, Manabu; Kondo, Yoshihiko; Ito, Shin-ichi; Akiba, Uichi
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 23
• Pages of publication: 6920
• a: 30.7287 ± 0.0012 Å
• b: 30.7287 ± 0.0012 Å
• c: 23.757 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 19427.2 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.0862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No