Information card for entry 7042902

Structure parameters

• Formula: C34 H18 B F10 N O
• Calculated formula: C34 H18 B F10 N O
• SMILES: Fc1c(c(c(c(c1F)F)F)[B]1([NH](c2c(O1)c1ccccc1c1ccccc21)c1c(cccc1C)C)c1c(F)c(F)c(F)c(c1F)F)F
• Title of publication: FLP reduction and hydroboration of phenanthrene o-iminoquinones and α-diimines.
• Authors of publication: Bamford, Karlee L.; Longobardi, Lauren E.; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 16
• Pages of publication: 5308 - 5319
• a: 9.7684 ± 0.0015 Å
• b: 14.767 ± 0.003 Å
• c: 19.986 ± 0.004 Å
• α: 90°
• β: 103.712 ± 0.006°
• γ: 90°
• Cell volume: 2800.8 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1345
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No