Information card for entry 4135443

Structure parameters

• Formula: C78 H78 N4 O11 P8
• Calculated formula: C78 H78 N4 O11 P8
• Title of publication: Synthesis of α,δ-Disubstituted Tetraphosphates and Terminally-Functionalized Nucleoside Pentaphosphates
• Authors of publication: Shepard, Scott M.; Kim, Hyehwang; Bang, Qing Xin; Alhokbany, Norah; Cummins, Christopher C.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 16.3718 ± 0.0013 Å
• b: 16.3947 ± 0.0013 Å
• c: 16.8901 ± 0.0014 Å
• α: 80.413 ± 0.002°
• β: 63.417 ± 0.002°
• γ: 61.422 ± 0.002°
• Cell volume: 3553.8 ± 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: 0.0382
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0859
• 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: No
• Has Fobs: No