Information card for entry 4129034

Structure parameters

• Formula: C14 H13 I O
• Calculated formula: C14 H13 I O
• Title of publication: Glycosylation with 3,5-Dimethyl-4-(2'-phenylethynylphenyl)phenyl (EPP) Glycosides via a Dearomative Activation Mechanism.
• Authors of publication: Hu, Zhifei; Tang, Yu; Yu, Biao
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 12
• Pages of publication: 4806 - 4810
• a: 22.1638 ± 0.0012 Å
• b: 15.0475 ± 0.0009 Å
• c: 7.499 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2501 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0621
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1303
• Weighted residual factors for all reflections included in the refinement: 0.1341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No