Information card for entry 1572304

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: C70 H40 N6 O4
• Calculated formula: C70 H40 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: 11.6021 ± 0.0019 Å
• b: 30.046 ± 0.004 Å
• c: 16.575 ± 0.002 Å
• α: 90°
• β: 108.819 ± 0.009°
• γ: 90°
• Cell volume: 5469.1 ± 1.4 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 4
• 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: 0.174
• Residual factor for significantly intense reflections: 0.1105
• Weighted residual factors for significantly intense reflections: 0.2831
• Weighted residual factors for all reflections included in the refinement: 0.3232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No