Information card for entry 7152485

Structure parameters

• Formula: C28 H29 N5 O10
• Calculated formula: C28 H29 N5 O10
• Title of publication: The role of cyclobutenes in gold(i)-catalysed skeletal rearrangement of 1,6-enynes.
• Authors of publication: Escribano-Cuesta, Ana; Pérez-Galán, Patricia; Herrero-Gómez, Elena; Sekine, Masaki; Braga, Ataualpa A. C.; Maseras, Feliu; Echavarren, Antonio M.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 30
• Pages of publication: 6105 - 6111
• a: 11.1962 ± 0.001 Å
• b: 13.6978 ± 0.0016 Å
• c: 20.614 ± 0.002 Å
• α: 87.116 ± 0.007°
• β: 76.553 ± 0.007°
• γ: 68.06 ± 0.007°
• Cell volume: 2849.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1353
• Residual factor for significantly intense reflections: 0.1066
• Weighted residual factors for significantly intense reflections: 0.2549
• Weighted residual factors for all reflections included in the refinement: 0.2805
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No