Information card for entry 7036366

Structure parameters

• Chemical name: 6-(Dihydroxyboryl)-N,N-dimethyl-1,2-dihydroacenaphthylen-5-amine
• Formula: C14 H16 B N O2
• Calculated formula: C14 H16 B N O2
• SMILES: C1Cc2ccc(c3c(ccc1c23)B(O)O)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: 11.5658 ± 0.0012 Å
• b: 10.1745 ± 0.001 Å
• c: 12.0844 ± 0.0012 Å
• α: 90°
• β: 117.252 ± 0.003°
• γ: 90°
• Cell volume: 1264.2 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• 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: 0.0698
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.139
• Weighted residual factors for all reflections included in the refinement: 0.154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No