Information card for entry 1558152

Structure parameters

• Formula: C31 H34 O4
• Calculated formula: C31 H34 O4
• Title of publication: Nickel-catalyzed regio- and diastereoselective hydroarylative and hydroalkenylative cyclization of 1,6-dienes.
• Authors of publication: Xu, Zhengshuai; Tang, Yitian; Shen, Chaoren; Zhang, Hongru; Gan, Yuxin; Ji, Xiaolei; Tian, Xinxin; Dong, Kaiwu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 56
• Pages of publication: 7741 - 7744
• a: 7.8821 ± 0.0006 Å
• b: 12.0559 ± 0.0011 Å
• c: 14.7116 ± 0.0012 Å
• α: 86.518 ± 0.003°
• β: 74.563 ± 0.003°
• γ: 78.674 ± 0.003°
• Cell volume: 1321.25 ± 0.19 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0915
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.1818
• Weighted residual factors for all reflections included in the refinement: 0.1973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No