Information card for entry 1572302

Structure parameters

• Common name: BC-4Np
• Chemical name: 6,6',6'',6'''-([9,9'-bicarbazole]-3,3',6,6'-tetrayl)tetrakis(benzo[cd]indol-2(1H)-one)
• Formula: C68 H36 N6 O4
• Calculated formula: C68 H36 N6 O4
• Title of publication: Self-Correcting Mismatches in Metastable Hydrogen-Bonded Organic Frameworks with 11-fold Interpenetrated Array
• Authors of publication: Xia, Guomin; Zhou, Chunlei; Xiao, Xingliang; Yang, Yang; Yu, Fuqing; Wang, Hongming
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 16.6654 ± 0.0017 Å
• b: 38.187 ± 0.004 Å
• c: 29.129 ± 0.003 Å
• α: 90°
• β: 93.15 ± 0.007°
• γ: 90°
• Cell volume: 18510 ± 3 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.2026
• Residual factor for significantly intense reflections: 0.1469
• Weighted residual factors for significantly intense reflections: 0.3193
• Weighted residual factors for all reflections included in the refinement: 0.3485
• Goodness-of-fit parameter for all reflections included in the refinement: 1.163
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No