Information card for entry 7030434

Structure parameters

• Formula: C30 H24 F5.86 I0.02 O3 P1.98
• Calculated formula: C30 H24 F5.8584 I0.0236 O3 P1.9764
• Title of publication: Pd-catalysed regioselective C-H functionalisation of 2-pyrones.
• Authors of publication: Burns, Michael J.; Thatcher, Robert J.; Taylor, Richard J. K.; Fairlamb, Ian J. S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 43
• Pages of publication: 10391 - 10400
• a: 7.8107 ± 0.0008 Å
• b: 13.253 ± 0.0014 Å
• c: 14.2579 ± 0.0015 Å
• α: 97.04 ± 0.002°
• β: 104.389 ± 0.002°
• γ: 104.932 ± 0.002°
• Cell volume: 1353.6 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0719
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1227
• Weighted residual factors for all reflections included in the refinement: 0.1367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No