Information card for entry 7710586

Structure parameters

• Formula: C55 H27 B4 Br4 Cl6 F20 N4 O8
• Calculated formula: C55 H27 B4 Br4 Cl6 F20 N4 O8
• 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: 11.1341 ± 0.0004 Å
• b: 27.736 ± 0.0012 Å
• c: 21.0109 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6488.5 ± 0.5 ų
• Cell temperature: 149.25 K
• Ambient diffraction temperature: 149.25 K
• Number of distinct elements: 8
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0803
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No