Information card for entry 1544999

Structure parameters

• Formula: C26 H28 B F10 N3 O2
• Calculated formula: C26 H28 B F10 N3 O2
• SMILES: [B]1(ON(N=[O]1)C(CN1C(CCCC1(C)C)(C)C)C(C)C)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: CO/CO and NO/NO Coupling at a Hidden Frustrated Lewis Pair Template
• Authors of publication: Erker, Gerhard; Wang, Tongdao; Wang, Long; Daniliuc, Constantin Gabriel; Samigullin, Kamil; Wagner, Matthias; Kehr, Gerald
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• a: 11.4759 ± 0.0007 Å
• b: 11.5926 ± 0.0007 Å
• c: 20.7695 ± 0.0013 Å
• α: 90°
• β: 95.877 ± 0.002°
• γ: 90°
• Cell volume: 2748.6 ± 0.3 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1147
• Residual factor for significantly intense reflections: 0.0945
• Weighted residual factors for significantly intense reflections: 0.1765
• Weighted residual factors for all reflections included in the refinement: 0.1841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No