Information card for entry 7123831

Structure parameters

• Common name: CP4
• Chemical name: CP4
• Formula: C89.6 H82.8 Cl3.2 O8.4
• Calculated formula: C89.6 H82.8 Cl3.2 O8.4
• Title of publication: Torsional chirality generation based on cyclic oligomers constructed from an odd number of pyrenes
• Authors of publication: Kurosaki, Ryo; Suzuki, Mitsuhara; Hayashi, Hironobu; FUJIKI, Michiya; Aratani, Naoki; Yamada, Hiroko
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 21.774 ± 0.004 Å
• b: 45.367 ± 0.008 Å
• c: 36.9 ± 0.006 Å
• α: 90°
• β: 92.69 ± 0.003°
• γ: 90°
• Cell volume: 36410 ± 11 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2586
• Residual factor for significantly intense reflections: 0.1233
• Weighted residual factors for significantly intense reflections: 0.2911
• Weighted residual factors for all reflections included in the refinement: 0.4012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No