Information card for entry 4128566

Structure parameters

• Formula: C22.25 H27 O3
• Calculated formula: C22.25 H27 O3
• Title of publication: Enantioselective Folding of Enynes by Gold(I) Catalysts with a Remote <i>C</i>₂-Chiral Element.
• Authors of publication: Zuccarello, Giuseppe; Mayans, Joan G.; Escofet, Imma; Scharnagel, Dagmar; Kirillova, Mariia S.; Pérez-Jimeno, Alba H; Calleja, Pilar; Boothe, Jordan R.; Echavarren, Antonio M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 30
• Pages of publication: 11858 - 11863
• a: 10.6353 ± 0.0006 Å
• b: 13.0254 ± 0.0007 Å
• c: 15.5365 ± 0.0009 Å
• α: 107.834 ± 0.0015°
• β: 104.675 ± 0.0016°
• γ: 98.9253 ± 0.0016°
• Cell volume: 1917.66 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0667
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1447
• Weighted residual factors for all reflections included in the refinement: 0.1556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No