Information card for entry 7007434

Structure parameters

• Common name: sa0524
• Formula: C57 H67 B2 Fe O4
• Calculated formula: C57 H67 B2 Fe O4
• Title of publication: Fluoride anion binding by cyclic boronic esters: influence of backbone chelate on receptor integrity.
• Authors of publication: Bresner, Christopher; Day, Joanna K.; Coombs, Natalie D.; Fallis, Ian A.; Aldridge, Simon; Coles, Simon J.; Hursthouse, Michael B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 30
• Pages of publication: 3660 - 3667
• a: 10.7685 ± 0.0003 Å
• b: 12.7505 ± 0.0004 Å
• c: 19.0095 ± 0.0006 Å
• α: 89.514 ± 0.002°
• β: 73.968 ± 0.002°
• γ: 76.025 ± 0.001°
• Cell volume: 2429.57 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1874
• Residual factor for significantly intense reflections: 0.1237
• Weighted residual factors for significantly intense reflections: 0.3054
• Weighted residual factors for all reflections included in the refinement: 0.3554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No