Information card for entry 7151571

Structure parameters

• Formula: C14 H20 N2 O5 P
• Calculated formula: C14 H19 N2 O5 P
• Title of publication: Synthesis and molecular structure of new acyclic analogues of nucleotides with a 1,2-alkadienic skeleton.
• Authors of publication: Brel, Valery K.; Belsky, Vitaly K.; Stash, Adam I.; Zavodnik, Valery E.; Stang, Peter J.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2003
• Journal volume: 1
• Journal issue: 23
• Pages of publication: 4220 - 4226
• a: 14.135 ± 0.003 Å
• b: 8.272 ± 0.002 Å
• c: 14.408 ± 0.003 Å
• α: 90°
• β: 106.97 ± 0.03°
• γ: 90°
• Cell volume: 1611.3 ± 0.7 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: 0.0376
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No