Information card for entry 7020316

Structure parameters

• Formula: C19 H29 N O2
• Calculated formula: C19 H29 N O2
• SMILES: O=C(\C=C(/Nc1c(O)c(cc(c1)C(C)(C)C)C(C)(C)C)C)C
• Title of publication: A N-aryloxy-β-diketiminate ligand in 4d, 4f and 5f-metals complexes.
• Authors of publication: Dulong, Florian; Bathily, Oumou; Thuéry, Pierre; Ephritikhine, Michel; Cantat, Thibault
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 39
• Pages of publication: 11980 - 11983
• a: 20.6064 ± 0.0016 Å
• b: 6.1496 ± 0.0003 Å
• c: 28.352 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3592.8 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0702
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1227
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No