Information card for entry 7152316

Structure parameters

• Formula: C25 H21 I O Se
• Calculated formula: C25 H21 I O Se
• Title of publication: Chemoselective synthesis of highly substituted 1,2-allenyl ketones, furans, and 2-alkynyl ketones from reaction of lithium selenolates with 1-(1-alkynyl)cyclopropyl ketones and electrophiles.
• Authors of publication: Xu, Jianfeng; Zhu, Shugao; Wu, Luling; Huang, Xian
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 18
• Pages of publication: 3705 - 3714
• a: 16.1185 ± 0.0006 Å
• b: 5.7251 ± 0.0002 Å
• c: 24.3065 ± 0.0009 Å
• α: 90°
• β: 106.365 ± 0.004°
• γ: 90°
• Cell volume: 2152.13 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No