Information card for entry 1567079

Structure parameters

• Formula: C104 H104 B3 F6 N11
• Calculated formula: C104 H104 B3 F6 N11
• 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: 12.9759 ± 0.0005 Å
• b: 17.3 ± 0.0006 Å
• c: 23.1532 ± 0.0008 Å
• α: 82.59 ± 0.002°
• β: 81.602 ± 0.002°
• γ: 76.517 ± 0.002°
• Cell volume: 4975.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1316
• Residual factor for significantly intense reflections: 0.0881
• Weighted residual factors for significantly intense reflections: 0.24
• Weighted residual factors for all reflections included in the refinement: 0.2826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No