Information card for entry 7221928

Structure parameters

• Formula: C30 H22 O7 S4
• Calculated formula: C30 H22 O7 S4
• Title of publication: ‘Honeycomb’ nanotube assembly based on thiacalix[4]arene derivatives by weak interactions
• Authors of publication: Wang, Wei; Yang, Weiping; Guo, Rong; Gong, Shuling
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 40
• Pages of publication: 7663
• a: 37.589 ± 0.003 Å
• b: 37.589 ± 0.003 Å
• c: 10.681 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 13070 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.105
• Residual factor for significantly intense reflections: 0.0802
• Weighted residual factors for significantly intense reflections: 0.2212
• Weighted residual factors for all reflections included in the refinement: 0.2377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No