Information card for entry 7122322

Structure parameters

• Formula: C139 H145 Cl3 O3 Si3
• Calculated formula: C139 H145 Cl3 O3 Si3
• Title of publication: Sensing the chirality of various organic solvents by helically arranged π-blades.
• Authors of publication: Shimizu, Yuki; Shoji, Yoshiaki; Hashizume, Daisuke; Nagata, Yuuya; Fukushima, Takanori
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 87
• Pages of publication: 12314 - 12317
• a: 15.27587 ± 0.00013 Å
• b: 24.1176 ± 0.0002 Å
• c: 37.3535 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13761.7 ± 0.2 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No