Information card for entry 7112730

Structure parameters

• Formula: C18 H20 N2 O5
• Calculated formula: C18 H20 N2 O5
• SMILES: [C@@H]1(C[C@@H]([C@@H](CO)O1)O)c1ccc(nc1)NC(=O)COc1ccccc1
• Title of publication: 2′-Substituted 2-amino-3-methylpyridine ribonucleosides in triplex-forming oligonucleotides: triplex stability is determined by chemical environment
• Authors of publication: Lou, Chenguang; Xiao, Qiang; Tailor, Radha R.; Ben Gaied, Nouha; Gale, Nittaya; Light, Mark E.; Fox, Keith R.; Brown, Tom
• Journal of publication: MedChemComm
• Year of publication: 2011
• Journal volume: 2
• Journal issue: 6
• Pages of publication: 550
• a: 10.1283 ± 0.0003 Å
• b: 8.5022 ± 0.0003 Å
• c: 11.0211 ± 0.0004 Å
• α: 90°
• β: 117.159 ± 0.001°
• γ: 90°
• Cell volume: 844.42 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0515
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No