Information card for entry 7112434

Structure parameters

• Formula: C16 H22 O7
• Calculated formula: C16 H22 O7
• Title of publication: Confirming the existence of π-allyl-palladium intermediates during the reaction of meta photocycloadducts with palladium(II) compounds
• Authors of publication: Penkett, Clive S.; Brann, Paul J.; Woolford, Jason A.; Kahan, Rachel J.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2013
• Journal volume: 49
• Journal issue: 11
• Pages of publication: 1106 - 1108
• a: 9.0913 ± 0.0005 Å
• b: 10.8004 ± 0.0004 Å
• c: 16.2056 ± 0.0009 Å
• α: 90°
• β: 91.343 ± 0.002°
• γ: 90°
• Cell volume: 1590.79 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0595
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7108809
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No