Information card for entry 7126878

Structure parameters

• Chemical name: (R)-1-methoxy-4-(5-(2-(4-methoxyphenoxy)propan-2-yl)cyclopent-1-en-1-yl)benzene
• Formula: C22 H26 O3
• Calculated formula: C22 H26 O3
• Title of publication: Enantioselective gold(i)-catalyzed cyclization/intermolecular nucleophilic additions of 1,5-enyne derivatives.
• Authors of publication: Han, Xu; Retailleau, Pascal; Gandon, Vincent; Voituriez, Arnaud
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 66
• Pages of publication: 9457 - 9460
• a: 7.7307 ± 0.0003 Å
• b: 5.8517 ± 0.0002 Å
• c: 20.5811 ± 0.0014 Å
• α: 90°
• β: 92.53 ± 0.007°
• γ: 90°
• Cell volume: 930.13 ± 0.08 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No