Information card for entry 7122586

Structure parameters

• Formula: C26 H24 N2 O3
• Calculated formula: C26 H24 N2 O3
• Title of publication: Hydride transfer initiated ring expansion of pyrrolidines toward highly functionalized tetrahydro-1-benzazepines.
• Authors of publication: Wang, Shuai; An, Xiao-De; Li, Shuai-Shuai; Liu, Xicheng; Liu, Qing; Xiao, Jian
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 98
• Pages of publication: 13833 - 13836
• a: 7.4591 ± 0.0017 Å
• b: 12.033 ± 0.003 Å
• c: 12.1333 ± 0.0018 Å
• α: 102.784 ± 0.017°
• β: 94.976 ± 0.016°
• γ: 99.04 ± 0.02°
• Cell volume: 1040.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.2325
• Residual factor for significantly intense reflections: 0.0775
• Weighted residual factors for significantly intense reflections: 0.1627
• Weighted residual factors for all reflections included in the refinement: 0.2573
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No