Information card for entry 7122144

Structure parameters

• Formula: C21 H21 N O4
• Calculated formula: C21 H21 N O4
• Title of publication: A photocatalytic iminyl radical-mediated C-C bond cleavage/addition/cyclization cascade for the synthesis of 1,2,3,4-tetrahydrophenanthrenes.
• Authors of publication: Wang, Peng-Zi; Yu, Xiao-Ye; Li, Chan-Yun; He, Bin-Qing; Chen, Jia-Rong; Xiao, Wen-Jing
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 71
• Pages of publication: 9925 - 9928
• a: 8.712 ± 0.003 Å
• b: 23.551 ± 0.007 Å
• c: 9.11 ± 0.003 Å
• α: 90°
• β: 106.515 ± 0.005°
• γ: 90°
• Cell volume: 1792 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0739
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1413
• Weighted residual factors for all reflections included in the refinement: 0.1614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No