Information card for entry 1567078

Structure parameters

• Formula: C111 H129 B2 Cl4 F4 N11 O5
• Calculated formula: C111 H129 B2 Cl4 F4 N11 O5
• Title of publication: Controlled assembly of a bicyclic porphyrinoid and its 3-dimensional boron difluoride arrays
• Authors of publication: Zhou, Weinan; Sarma, Tridib; Yang, Liu; Lei, Chuanhu; Sessler, Jonathan L.
• Journal of publication: Chemical Science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 24
• Pages of publication: 7276 - 7282
• a: 38.9356 ± 0.001 Å
• b: 18.8132 ± 0.0004 Å
• c: 29.4619 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 21580.9 ± 0.9 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1328
• Residual factor for significantly intense reflections: 0.1029
• Weighted residual factors for significantly intense reflections: 0.3092
• Weighted residual factors for all reflections included in the refinement: 0.3439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.34
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No