Information card for entry 7151570

Structure parameters

• Formula: C17 H26 N5 O3 P
• Calculated formula: C17 H26 N5 O3 P
• SMILES: P(=O)(OCC)(OCC)C(=C=C(Cn1cnc2c(ncnc12)N)C)CCC
• 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: 28.047 ± 0.006 Å
• b: 11.272 ± 0.002 Å
• c: 13.562 ± 0.003 Å
• α: 90°
• β: 103.05 ± 0.03°
• γ: 90°
• Cell volume: 4176.8 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0597
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1621
• Weighted residual factors for all reflections included in the refinement: 0.1621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No