Information card for entry 1502952

Structure parameters

• Formula: C10 H14 N2 O4 Se
• Calculated formula: C10 H14 N2 O4 Se
• SMILES: [Se]1[C@@H](N2C(=O)NC(=O)C(=C2)C)C[C@@H]([C@H]1CO)O
• Title of publication: A new DNA building block, 4'-selenothymidine: synthesis and modification to 4'-seleno-AZT as a potential anti-HIV agent.
• Authors of publication: Alexander, Varughese; Choi, Won Jun; Chun, Jeongha; Kim, Hea Ok; Jeon, Ji Hye; Tosh, Dilip K.; Lee, Hyuk Woo; Chandra, Girish; Choi, Jungwon; Jeong, Lak Shin
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 2242 - 2245
• a: 9.2745 ± 0.0007 Å
• b: 5.2059 ± 0.0003 Å
• c: 12.1233 ± 0.0007 Å
• α: 90°
• β: 92.047 ± 0.002°
• γ: 90°
• Cell volume: 584.97 ± 0.07 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 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 all reflections: 0.0304
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0496
• Weighted residual factors for all reflections included in the refinement: 0.0548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No