Information card for entry 7042898

Structure parameters

• Formula: C28 H24 N2
• Calculated formula: C28 H24 N2
• SMILES: N(c1c2ccccc2c2ccccc2c1Nc1ccc(C)cc1)c1ccc(C)cc1
• 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: 20.763 ± 0.004 Å
• b: 5.6764 ± 0.0009 Å
• c: 35.74 ± 0.006 Å
• α: 90°
• β: 99.442 ± 0.011°
• γ: 90°
• Cell volume: 4155.2 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• 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: 0.2337
• Residual factor for significantly intense reflections: 0.0834
• Weighted residual factors for significantly intense reflections: 0.1536
• Weighted residual factors for all reflections included in the refinement: 0.2149
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No