Information card for entry 1506667

Structure parameters

• Common name: F2I-5-tBu-1,3-Me3Ph
• Formula: C12 H17 F2 I
• Calculated formula: C12 H17 F2 I
• Title of publication: Straightforward syntheses of hypervalent iodine(III) reagents mediated by Selectfluor.
• Authors of publication: Ye, Chengfeng; Twamley, Brendan; Shreeve, Jean'ne M.
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 18
• Pages of publication: 3961 - 3964
• a: 11.5263 ± 0.0007 Å
• b: 12.7649 ± 0.0008 Å
• c: 17.7467 ± 0.0011 Å
• α: 76.027 ± 0.001°
• β: 81.454 ± 0.001°
• γ: 88.146 ± 0.001°
• Cell volume: 2505.7 ± 0.3 ų
• Cell temperature: 87 ± 2 K
• Ambient diffraction temperature: 87 ± 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: 0.0551
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.1325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No