Information card for entry 7122321

Structure parameters

• Formula: C99 H111
• Calculated formula: C99 H111
• 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: 12.352 ± 0.002 Å
• b: 14.495 ± 0.003 Å
• c: 24.02 ± 0.005 Å
• α: 98.958 ± 0.003°
• β: 92.578 ± 0.003°
• γ: 111.662 ± 0.002°
• Cell volume: 3923.5 ± 1.3 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0905
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.1471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No