Information card for entry 7042897

Structure parameters

• Formula: C28 H17 B F5 N O
• Calculated formula: C28 H17 B F5 N O
• SMILES: Fc1c(F)c(F)c(c(F)c1F)B1N(c2c(cccc2C)C)c2c(O1)c1c(cccc1)c1c2cccc1
• 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: 12.5655 ± 0.0018 Å
• b: 10.2491 ± 0.0016 Å
• c: 17.699 ± 0.003 Å
• α: 90°
• β: 99.76 ± 0.005°
• γ: 90°
• Cell volume: 2246.4 ± 0.6 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1255
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.1493
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No