Information card for entry 7159231

Structure parameters

• Formula: C9 H13 N5 O7
• Calculated formula: C9 H13 N5 O7
• SMILES: O[C@H]1[C@@H](O[C@@H]([C@H]1O)CO)n1nnc2NC(=O)Nc2c1=O.O
• Title of publication: Role of hypoxanthine-guanine phosphoribosyltransferase in the metabolism of fairy chemicals in rice.
• Authors of publication: Takemura, Hirohide; Choi, Jae-Hoon; Fushimi, Keiji; Narikawa, Rei; Wu, Jing; Kondo, Mitsuru; Nelson, David C.; Suzuki, Tomohiro; Ouchi, Hitoshi; Inai, Makoto; Hirai, Hirofumi; Kawagishi, Hirokazu
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 12
• Pages of publication: 2556 - 2561
• a: 19.32005 ± 0.00012 Å
• b: 5.34244 ± 0.00002 Å
• c: 11.81711 ± 0.00004 Å
• α: 90°
• β: 98.3058 ± 0.0004°
• γ: 90°
• Cell volume: 1206.92 ± 0.01 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 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: 0.0288
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No