Information card for entry 1572303

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 an 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
• Journal volume: 15
• Journal issue: 35
• Pages of publication: 14336 - 14343
• a: 11.685 ± 0.003 Å
• b: 30.037 ± 0.008 Å
• c: 16.64 ± 0.004 Å
• α: 90°
• β: 109.381 ± 0.008°
• γ: 90°
• Cell volume: 5509 ± 2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0882
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.1858
• Weighted residual factors for all reflections included in the refinement: 0.2019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No