Information card for entry 7039762

Structure parameters

• Formula: C42.5 H47 Cl N2 O6 S2
• Calculated formula: C42.5 H47 Cl N2 O6 S2
• Title of publication: Platinum-catalysed intermolecular addition of carbonyl compounds to 1,6-enynes: investigation of a new reaction pathway.
• Authors of publication: Fourmy, Kévin; El Louz, Mohamed; Mallet-Ladeira, Sonia; Daran, Jean-Claude; Dechy-Cabaret, Odile; Gouygou, Maryse
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 34
• Pages of publication: 13294 - 13299
• a: 10.2982 ± 0.0007 Å
• b: 14.525 ± 0.001 Å
• c: 14.9733 ± 0.001 Å
• α: 67.417 ± 0.006°
• β: 74.353 ± 0.006°
• γ: 75.883 ± 0.006°
• Cell volume: 1966.4 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0494
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1145
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No