Information card for entry 7221931

Structure parameters

• Formula: C33 H28 O7 S4
• Calculated formula: C33 H28.01 O7.01 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: 37.498 ± 0.005 Å
• b: 37.498 ± 0.005 Å
• c: 11.9203 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 14516 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.103
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1616
• Weighted residual factors for all reflections included in the refinement: 0.2095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No