Information card for entry 7248420

Structure parameters

• Common name: BPQ
• Chemical name: Bis(pyreneloquinoxaline)
• Formula: C64 H60 N4
• Calculated formula: C64 H60 N4
• Title of publication: U-shaped stereoscopic design strategy toward N-doped nanographene segment.
• Authors of publication: Zhang, Dongyang; Zhang, Fengyuan; Du, Hanyun; Liu, Fei; Yi, Xiaohui; Chen, Jun; Hu, Ben-Lin
• Journal of publication: RSC advances
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 17
• Pages of publication: 11771 - 11774
• a: 36.4386 ± 0.0008 Å
• b: 9.7054 ± 0.0003 Å
• c: 30.3886 ± 0.0007 Å
• α: 90°
• β: 110.431 ± 0.001°
• γ: 90°
• Cell volume: 10070.9 ± 0.5 ų
• Cell temperature: 194 K
• Ambient diffraction temperature: 194 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1057
• Residual factor for significantly intense reflections: 0.0711
• Weighted residual factors for significantly intense reflections: 0.193
• Weighted residual factors for all reflections included in the refinement: 0.231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No