Information card for entry 1513312

Structure parameters

• Formula: C26 H30 N5 O8
• Calculated formula: C26 H30 N5 O8
• SMILES: [nH]1c(Nc2ccc(cc2)CCCC)nc2n(cnc2c1=O)[C@@H]1O[C@@H]([C@@H](OC(=O)C)[C@H]1OC(=O)C)COC(=O)C
• Title of publication: G-quartet formation from an N2-modified guanosine derivative
• Authors of publication: Liu, Xiangyang; Kwan, Irene C. M.; Wang, Suning; Wu, Gang
• Journal of publication: Organic Letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 17
• Pages of publication: 3685 - 3688
• a: 9.019 ± 0.002 Å
• b: 10.726 ± 0.003 Å
• c: 14.449 ± 0.004 Å
• α: 90°
• β: 105.111 ± 0.004°
• γ: 90°
• Cell volume: 1349.4 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0919
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1266
• Weighted residual factors for all reflections included in the refinement: 0.1405
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 1506110
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No