Information card for entry 1568662

Structure parameters

• Chemical name: DYX-7
• Formula: C147 H123 Cl9
• Calculated formula: C147 H123 Cl9
• Title of publication: Buckybowl and its chiral hybrids featuring eight-membered rings and helicene units.
• Authors of publication: Duan, Yuxiao; Chen, Meng; Hayashi, Hironobu; Yamada, Hiroko; Liu, Xinyue; Zhang, Lei
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 38
• Pages of publication: 10420 - 10428
• a: 11.5164 ± 0.0005 Å
• b: 17.905 ± 0.0005 Å
• c: 31.034 ± 0.001 Å
• α: 77.629 ± 0.002°
• β: 80.917 ± 0.003°
• γ: 84.108 ± 0.003°
• Cell volume: 6156.5 ± 0.4 ų
• Cell temperature: 169.99 ± 0.11 K
• Ambient diffraction temperature: 169.99 ± 0.11 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2019
• Residual factor for significantly intense reflections: 0.1631
• Weighted residual factors for significantly intense reflections: 0.4168
• Weighted residual factors for all reflections included in the refinement: 0.444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.536
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No