Information card for entry 7710587

Structure parameters

• Formula: C30 H28 B2 N2 O4
• Calculated formula: C30 H28 B2 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: 7.8349 ± 0.0013 Å
• b: 9.0678 ± 0.0013 Å
• c: 10.3304 ± 0.0016 Å
• α: 112.635 ± 0.003°
• β: 99.067 ± 0.004°
• γ: 108.572 ± 0.004°
• Cell volume: 608.31 ± 0.17 ų
• Cell temperature: 149.49 K
• Ambient diffraction temperature: 149.49 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: 0.0591
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0584
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No