Information card for entry 4127933

Structure parameters

• Formula: C43 H49 N2 O9 P5
• Calculated formula: C43 H49 N2 O9 P5
• 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: 32.577 ± 0.002 Å
• b: 9.197 ± 0.0006 Å
• c: 14.4155 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4319 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0373
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No