Information card for entry 7153129

Structure parameters

• Formula: C12 H11 I O
• Calculated formula: C12 H11 I O
• SMILES: I/C=C1\CO[C@H]2[C@@H]1Cc1c2cccc1.I/C=C1\CO[C@@H]2[C@H]1Cc1c2cccc1
• Title of publication: Visible light photoredox atom transfer Ueno-Stork reaction.
• Authors of publication: Gu, Xiangyong; Lu, Ping; Fan, Weigang; Li, Pixu; Yao, Yingming
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 41
• Pages of publication: 7088 - 7091
• a: 6.6246 ± 0.0016 Å
• b: 8.867 ± 0.003 Å
• c: 9.748 ± 0.003 Å
• α: 107.355 ± 0.007°
• β: 91.179 ± 0.005°
• γ: 95.669 ± 0.007°
• Cell volume: 543.1 ± 0.3 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: 0.0406
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No