Information card for entry 7103547

Structure parameters

• Formula: C10 H13 F N6 O7
• Calculated formula: C10 H12 F N6 O7
• SMILES: F[C@H]1[C@@H](O[C@@H]([C@H]1O)CO)n1c(nc2c(=O)[nH]c(N)nc12)N(=O)=O.O
• Title of publication: 8-Nitroguanosines as chemical probes of the protein S-guanylation.
• Authors of publication: Saito, Yohei; Taguchi, Hirobumi; Fujii, Shigemoto; Sawa, Tomohiro; Kida, Eriko; Kabuto, Chizuko; Akaike, Takaaki; Arimoto, Hirokazu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 45
• Pages of publication: 5984 - 5986
• a: 9.577 ± 0.007 Å
• b: 8.241 ± 0.005 Å
• c: 9.836 ± 0.007 Å
• α: 90°
• β: 116.656 ± 0.004°
• γ: 90°
• Cell volume: 693.8 ± 0.8 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for all reflections included in the refinement: 0.0561
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No