Information card for entry 7106589

Structure parameters

• Formula: C50 H46 Cl2 F6 N6 O14 Si Zn
• Calculated formula: C50 H46 Cl2 F6 N6 O14 Si Zn
• Title of publication: Molecular tectonics: design of enantiomerically pure helical tubular crystals with controlled channel size and orientation
• Authors of publication: Lin, Mei-Jin; Jouaiti, Abdelaziz; Grosshans, Philippe; Kyritsakas, Nathalie; Hosseini, Mir Wais
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2011
• Journal volume: 47
• Journal issue: 27
• Pages of publication: 7635 - 7637
• a: 23.2828 ± 0.0004 Å
• b: 7.5988 ± 0.0001 Å
• c: 16.6091 ± 0.0003 Å
• α: 90°
• β: 100.165 ± 0.001°
• γ: 90°
• Cell volume: 2892.38 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0473
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1176
• 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