Information card for entry 7115449

Structure parameters

• Formula: C34 H26 B F4 P
• Calculated formula: C34 H26 B F4 P
• Title of publication: A phosphine-mediated stereocontrolled synthesis of Z-enediynes by a vicinal dialkynylation of ethynylphosphonium salts
• Authors of publication: Kyle D. Reichl; Alexander T. Radosevich
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 9302
• a: 10.743 ± 0.006 Å
• b: 10.216 ± 0.005 Å
• c: 26.175 ± 0.016 Å
• α: 90°
• β: 94.556 ± 0.01°
• γ: 90°
• Cell volume: 2864 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1801
• Residual factor for significantly intense reflections: 0.1084
• Weighted residual factors for significantly intense reflections: 0.2633
• Weighted residual factors for all reflections included in the refinement: 0.2979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No