Information card for entry 7133938

Structure parameters

• Chemical name: CBQCz
• Formula: C90 H78 N2
• Calculated formula: C90 H78 N2
• Title of publication: Boat-to-boat conformation inversions of cyclobis[7,8-(<i>para</i>-quinodimethane)-3,7-(9-(<i>p</i>-tolyl)-9<i>H</i>-carbazole)] in the neutral and tetracationic state.
• Authors of publication: Tong, Zekun; Dong, Shaoqiang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 87
• Pages of publication: 12766 - 12769
• a: 12.2461 ± 0.0005 Å
• b: 17.578 ± 0.0008 Å
• c: 17.8214 ± 0.0007 Å
• α: 82.377 ± 0.004°
• β: 88.409 ± 0.003°
• γ: 74.137 ± 0.004°
• Cell volume: 3657.4 ± 0.3 ų
• Cell temperature: 113.15 K
• Ambient diffraction temperature: 113.15 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: 0.1335
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.1706
• Weighted residual factors for all reflections included in the refinement: 0.2068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No