Information card for entry 7111261

Structure parameters

• Formula: C36 H44 O8 S0.44
• Calculated formula: C26 H30 O7.94 S4
• Title of publication: Resorcin[6]arene as a building block for tubular crystalline state architectures
• Authors of publication: Purse, Byron W.; Shivanyuk, Alexander; Rebek, Julius
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 22
• Pages of publication: 2612
• a: 28.453 ± 0.005 Å
• b: 28.453 ± 0.005 Å
• c: 10.024 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7028 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.2173
• Residual factor for significantly intense reflections: 0.1632
• Weighted residual factors for significantly intense reflections: 0.4352
• Weighted residual factors for all reflections included in the refinement: 0.4641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.494
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No