Information card for entry 7131103

Structure parameters

• Formula: C64 H60 N12
• Calculated formula: C64 H60 N12
• Title of publication: Quinoxaline-fused octaphyrin(2.0.0.0.2.0.0.0). A rudimentary chemosensor.
• Authors of publication: Tan, Bingbin; Ding, Wenjing; Yin, Yu; Xu, Kui; Yin, Ying; Chen, Xi; Huang, Zhengxi; Wu, Lamei; Sessler, Jonathan L.; Zhang, Zhan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 6
• Pages of publication: 708 - 711
• a: 21.533 ± 0.003 Å
• b: 17.889 ± 0.003 Å
• c: 27.961 ± 0.005 Å
• α: 90°
• β: 93.891 ± 0.004°
• γ: 90°
• Cell volume: 10746 ± 3 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1722
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 0.909
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No