Information card for entry 7710588

Structure parameters

• Formula: C26.5 H14 B2 Cl2 F10 N2 O4
• Calculated formula: C26.5 H14 B2 Cl2 F10 N2 O4
• Title of publication: Towards macrocyclic frustrated Lewis pairs
• Authors of publication: Yeung, Jason; Becker, Matthias; Stephan, Douglas W.
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 13.0676 ± 0.0007 Å
• b: 13.0676 ± 0.0007 Å
• c: 16.7235 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2855.7 ± 0.3 ų
• Cell temperature: 149.76 K
• Ambient diffraction temperature: 149.76 K
• Number of distinct elements: 7
• Space group number: 118
• Hermann-Mauguin space group symbol: P -4 n 2
• Hall space group symbol: P -4 -2n
• Residual factor for all reflections: 0.0848
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1476
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No