Information card for entry 1567077

Structure parameters

• Formula: C109 H121 B4 F8 N11 O5
• Calculated formula: C109 H121 B4 F8 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: 17.2251 ± 0.0004 Å
• b: 23.1997 ± 0.0007 Å
• c: 28.8441 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11526.6 ± 0.5 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0994
• Residual factor for significantly intense reflections: 0.0823
• Weighted residual factors for significantly intense reflections: 0.2307
• Weighted residual factors for all reflections included in the refinement: 0.2518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No