Information card for entry 4080260

Structure parameters

• Formula: C37 H52 N2 O
• Calculated formula: C37 H52 N2 O
• SMILES: O1c2c(NC1(C/C(=N/c1c(cccc1C(C)C)C(C)C)C)C)cc(cc2C(C)(C)C)C(C)(C)C.c1ccccc1
• Title of publication: Synthesis ofN-Aryloxy-β-diketiminate Ligands and Coordination to Zirconium, Ytterbium, Thorium, and Uranium
• Authors of publication: Dulong, Florian; Thuéry, Pierre; Ephritikhine, Michel; Cantat, Thibault
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 5
• Pages of publication: 1328
• a: 9.9061 ± 0.0006 Å
• b: 13.0594 ± 0.001 Å
• c: 14.8115 ± 0.0012 Å
• α: 103.48 ± 0.003°
• β: 108.736 ± 0.004°
• γ: 103.91 ± 0.004°
• Cell volume: 1658 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1182
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1252
• Weighted residual factors for all reflections included in the refinement: 0.1445
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No