Information card for entry 7042895

Structure parameters

• Formula: C30 H28 N2
• Calculated formula: C30 H28 N2
• SMILES: N(c1c(Nc2c(C)cccc2C)c2ccccc2c2ccccc12)c1c(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: 8.401 ± 0.0006 Å
• b: 9.7328 ± 0.0006 Å
• c: 14.7598 ± 0.001 Å
• α: 71.445 ± 0.002°
• β: 79.849 ± 0.003°
• γ: 86.645 ± 0.003°
• Cell volume: 1126.19 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0574
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No