Information card for entry 7024172

Structure parameters

• Formula: C20 H20 O6
• Calculated formula: C20 H20 O6
• SMILES: c1(c(cc(C/C=C/Cc2cc(c(c(c2)C=O)O)OC)cc1C=O)OC)O
• Title of publication: Olefin metathesis as a tool for multinuclear Co(III)salen catalyst construction: access to cooperative catalysts.
• Authors of publication: Haak, Robert M.; Martínez Belmonte, Marta; Escudero-Adán, Eduardo C; Benet-Buchholz, Jordi; Kleij, Arjan W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 2
• Pages of publication: 593 - 602
• a: 4.031 ± 0.002 Å
• b: 12.305 ± 0.007 Å
• c: 16.759 ± 0.01 Å
• α: 90°
• β: 93.249 ± 0.016°
• γ: 90°
• Cell volume: 829.9 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1244
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1571
• Weighted residual factors for all reflections included in the refinement: 0.1874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No