Information card for entry 7036365

Structure parameters

• Chemical name: 6-(Dimesitylboryl)-N,N-dimethyl-1,2-dihydroacenaphthylen-5-amine
• Formula: C32 H36 B N
• Calculated formula: C32 H36 B N
• SMILES: C1Cc2ccc(c3c(ccc1c23)B(c1c(cc(cc1C)C)C)c1c(cc(cc1C)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: 9.2908 ± 0.0006 Å
• b: 9.5397 ± 0.0006 Å
• c: 15.6546 ± 0.001 Å
• α: 97.351 ± 0.002°
• β: 101.4 ± 0.002°
• γ: 105.609 ± 0.002°
• Cell volume: 1285.62 ± 0.14 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No