Information card for entry 7118848

Structure parameters

• Formula: C33 H44 B2 Cl2 F2 N4
• Calculated formula: C33 H44 B2 Cl2 F2 N4
• SMILES: [B@](F)([B@@](F)(c1c(cc(cc1C)C)C)[n]1ccc(cc1)N(C)C)(c1c(cc(cc1C)C)C)[n]1ccc(cc1)N(C)C.C(Cl)Cl.[B@@](F)([B@](F)(c1c(cc(cc1C)C)C)[n]1ccc(cc1)N(C)C)(c1c(cc(cc1C)C)C)[n]1ccc(cc1)N(C)C.C(Cl)Cl
• Title of publication: New outcomes of Lewis base addition to diboranes(4): electronic effects override strong steric disincentives.
• Authors of publication: Arnold, Nicole; Braunschweig, Holger; Damme, Alexander; Dewhurst, Rian D.; Pentecost, Leanne; Radacki, Krzysztof; Stellwag-Konertz, Sascha; Thiess, Torsten; Trumpp, Alexandra; Vargas, Alfredo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 27
• Pages of publication: 4898 - 4901
• a: 11.043 ± 0.002 Å
• b: 11.083 ± 0.004 Å
• c: 14.473 ± 0.003 Å
• α: 92.267 ± 0.009°
• β: 92.359 ± 0.01°
• γ: 113.535 ± 0.01°
• Cell volume: 1619.6 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0666
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1703
• Weighted residual factors for all reflections included in the refinement: 0.1768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No