Information card for entry 7159437

Structure parameters

• Formula: C19 H19 N5 O6
• Calculated formula: C19 H19 N5 O6
• SMILES: O1[C@]2(O[C@@H](O[C@H]([C@@H]2O)[C@@H]1n1cnc2c(NC(=O)c3ccccc3)ncnc12)C)CO
• Title of publication: Synthesis of purine derivatives of Me-TaNA and properties of Me-TaNA-modified oligonucleotides.
• Authors of publication: Fuchi, Yasufumi; Watanabe, Kouki; Shoji, Misa; Ito, Yuta; Hari, Yoshiyuki
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 25
• Pages of publication: 5203 - 5213
• a: 23.66 ± 0.002 Å
• b: 6.1601 ± 0.0006 Å
• c: 14.0178 ± 0.0013 Å
• α: 90°
• β: 112.573 ± 0.002°
• γ: 90°
• Cell volume: 1886.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No