Information card for entry 1549933

Structure parameters

• Formula: C49 H50 N6 O Y
• Calculated formula: C49 H50 N6 O Y
• SMILES: [Y]123([O]4CCCC4)([NH]=C(N1c1c(cccc1C)C)c1ccccc1)([NH]=C(N2c1c(cccc1C)C)c1ccccc1)[NH]C(=[N]3c1c(cccc1C)C)c1ccccc1
• Title of publication: Intramolecular alkene hydroamination and degradation of amidines: divergent behavior of rare earth metal amidinate intermediates
• Authors of publication: Zhang, Dexing; Liu, Ruiting; Zhou, Xigeng
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 21
• Pages of publication: 5573
• a: 22.637 ± 0.006 Å
• b: 9.781 ± 0.003 Å
• c: 23.089 ± 0.006 Å
• α: 90°
• β: 118.062 ± 0.004°
• γ: 90°
• Cell volume: 4511 ± 2 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1321
• Weighted residual factors for all reflections included in the refinement: 0.1459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No