Information card for entry 7006550

Structure parameters

• Common name: 1,3-Bis(2'-(3'',5''-di-tert-butyl-2''-hydroxystyryl)phenyl)- propane-1,3-dione
• Formula: C47 H56 O4
• Calculated formula: C47 H56 O4
• Title of publication: A chelating beta-diketonate/phenoxide ligand and its coordination behavior toward titanium and scandium.
• Authors of publication: Schroeder, Tobias; Ugrinova, Vesela; Noll, Bruce C.; Brown, Seth N.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 8
• Pages of publication: 1030 - 1040
• a: 9.1032 ± 0.0004 Å
• b: 11.9561 ± 0.0005 Å
• c: 18.4632 ± 0.0008 Å
• α: 104.741 ± 0.002°
• β: 96.902 ± 0.003°
• γ: 92.611 ± 0.002°
• Cell volume: 1923.21 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0906
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.188
• Weighted residual factors for all reflections included in the refinement: 0.2032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No