Information card for entry 7042900

Structure parameters

• Formula: C22 H19 N O
• Calculated formula: C22 H19 N O
• SMILES: Oc1c2ccccc2c2ccccc2c1Nc1c(C)cccc1C
• 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: 7.935 ± 0.0009 Å
• b: 9.8367 ± 0.0011 Å
• c: 20.542 ± 0.002 Å
• α: 90°
• β: 97.585 ± 0.005°
• γ: 90°
• Cell volume: 1589.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0824
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No