Information card for entry 4127931

Structure parameters

• Formula: C48 H58 N4 O11 P6
• Calculated formula: C48 H58 N4 O11 P6
• Title of publication: Functionalization of Intact Trimetaphosphate: A Triphosphorylating Reagent for C, N, and O Nucleophiles.
• Authors of publication: Shepard, Scott M.; Cummins, Christopher C.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 5
• Pages of publication: 1852 - 1856
• a: 10.7896 ± 0.0012 Å
• b: 14.973 ± 0.002 Å
• c: 15.5499 ± 0.0018 Å
• α: 94.628 ± 0.005°
• β: 97.727 ± 0.006°
• γ: 92.077 ± 0.005°
• Cell volume: 2478.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No