Information card for entry 7126704

Structure parameters

• Formula: C183 H285 Br6 Cl3 O20
• Calculated formula: C183 H285 Br6 Cl3 O20
• Title of publication: Holding of planar chirality of pillar[5]arene by kinetic trapping using host-guest interactions with achiral guest solvents.
• Authors of publication: Nagata, Yuuya; Suzuki, Misaki; Shimada, Yasuo; Sengoku, Hiroki; Nishida, Shungo; Kakuta, Takahiro; Yamagishi, Tada-Aki; Suginome, Michinori; Ogoshi, Tomoki
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 60
• Pages of publication: 8424 - 8427
• a: 24.6057 ± 0.0016 Å
• b: 25.5361 ± 0.0014 Å
• c: 29.3687 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 18453.3 ± 1.9 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 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: 0.4349
• Residual factor for significantly intense reflections: 0.1261
• Weighted residual factors for significantly intense reflections: 0.2118
• Weighted residual factors for all reflections included in the refinement: 0.319
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No