Information card for entry 1550627

Structure parameters

• Formula: C44 H46 O4
• Calculated formula: C44 H46 O4
• Title of publication: Copper-Catalyzed 1,4-Alkylarylation of 1,3-Enynes with Masked Alkyl Electrophiles
• Authors of publication: Ye, Changqing; Li, Yajun; Zhu, Xiaotao; Hu, Shengmin; Yuan, Daqiang; Bao, Hongli
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 10.8484 ± 0.0004 Å
• b: 11.0591 ± 0.0005 Å
• c: 15.2489 ± 0.0006 Å
• α: 76.98 ± 0.004°
• β: 84.293 ± 0.003°
• γ: 86.909 ± 0.003°
• Cell volume: 1772.66 ± 0.13 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 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: 0.0516
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.1283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 1.3405 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No