Information card for entry 4063369

Structure parameters

• Formula: C17 H27 N O
• Calculated formula: C17 H27 N O
• SMILES: O=C(C(Nc1c(cccc1C(C)C)C(C)C)(C)C)C
• Title of publication: Imino-Amido Hf and Zr Complexes: Synthesis, Isomerization, and Olefin Polymerization
• Authors of publication: Froese, Robert D. J.; Jazdzewski, Brian A.; Klosin, Jerzy; Kuhlman, Roger L.; Theriault, Curt N.; Welsh, Dean M.; Abboud, Khalil A.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 2
• Pages of publication: 251 - 262
• a: 11.3342 ± 0.001 Å
• b: 17.516 ± 0.0016 Å
• c: 32.797 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6511.2 ± 1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1423
• Weighted residual factors for all reflections included in the refinement: 0.1583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No