Information card for entry 7124684

Structure parameters

• Formula: C21 H16 O
• Calculated formula: C21 H16 O
• Title of publication: Merging photoredox catalysis with Lewis acid catalysis: activation of carbon-carbon triple bonds.
• Authors of publication: Jin, Ruiwen; Chen, Yiyong; Liu, Wangsheng; Xu, Dawen; Li, Yawei; Ding, Aishun; Guo, Hao
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 64
• Pages of publication: 9909 - 9912
• a: 13.33 ± 0.05 Å
• b: 15.13 ± 0.05 Å
• c: 7.59 ± 0.03 Å
• α: 90°
• β: 100.77 ± 0.05°
• γ: 90°
• Cell volume: 1504 ± 10 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.1321
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 0.692
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No