Information card for entry 7036362

Structure parameters

• Chemical name: N,N-Dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-dihydroacenaphthylen-5-amine
• Formula: C20 H26 B N O2
• Calculated formula: C20 H26 B N O2
• SMILES: C1Cc2ccc(c3c(ccc1c23)B1OC(C(C)(C)O1)(C)C)N(C)C
• Title of publication: Naphthylaminoborane: from structural switches to frustrated Lewis pair reactivity.
• Authors of publication: Pla, Daniel; Sadek, Omar; Cadet, Sarah; Mestre-Voegtlé, Béatrice; Gras, Emmanuel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 42
• Pages of publication: 18340 - 18346
• a: 10.38334 ± 0.00018 Å
• b: 11.57825 ± 0.00019 Å
• c: 14.9187 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1793.54 ± 0.06 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0349
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for all reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0344
• Weighted residual factors for all reflections included in the refinement: 0.0343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1278
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No