Information card for entry 7024173

Structure parameters

• Formula: C18 H16 O4
• Calculated formula: C18 H16 O4
• SMILES: C(=O)c1cccc(c1O)C/C=C/Cc1c(c(C=O)ccc1)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: 4.4309 ± 0.0004 Å
• b: 9.7243 ± 0.0008 Å
• c: 16.3855 ± 0.0011 Å
• α: 90°
• β: 94.51 ± 0.005°
• γ: 90°
• Cell volume: 703.82 ± 0.1 ų
• Cell temperature: 293 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1324
• Weighted residual factors for all reflections included in the refinement: 0.1384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No