Information card for entry 4022287

Structure parameters

• Formula: C22 H20 N4 O7 S4
• Calculated formula: C22 H18 N4 O7 S4
• Title of publication: Artificial Nucleosides Possessing Metal Binding Sites at the 3'- and 5'-Positions of the Deoxyribose Moieties
• Authors of publication: Jun-ya Chiba; Kentaro Tanaka; Yukinori Ohshiro; Ryosuke Miyake; Shuichi Hiraoka; Motoo Shiro; Mitsuhiko Shionoya
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2003
• Journal volume: 68
• Pages of publication: 331 - 338
• a: 4.7794 ± 0.0004 Å
• b: 12.872 ± 0.002 Å
• c: 39.978 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2459.5 ± 0.4 ų
• Cell temperature: 123.2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No