Information card for entry 4115214

Structure parameters

• Formula: C15 H19 N O7
• Calculated formula: C15 H19 N O7
• SMILES: O1[C@@H](n2ccc(=O)c(O)c2C)C[C@H](OC(=O)C)[C@H]1COC(=O)C
• Title of publication: Efficient Incorporation of a Copper Hydroxypyridone Base Pair in DNA
• Authors of publication: Kentaro Tanaka; Atsushi Tengeiji; Tatsuhisa Kato; Namiki Toyama; Motoo Shiro; Mitsuhiko Shionoya
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 12494 - 12498
• a: 7.7075 ± 0.0003 Å
• b: 7.7075 ± 0.0003 Å
• c: 44.782 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2303.89 ± 0.14 ų
• Cell temperature: 103.2 K
• Number of distinct elements: 4
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No