Information card for entry 7153497

Structure parameters

• Common name: ADDTop
• Formula: C13 H17 N3 O6
• Calculated formula: C13 H17 N3 O6
• SMILES: c12cc(ccc1C(=O)NC(=O)N2[C@H]1C[C@@H]([C@@H](CO)O1)O)N.O
• Title of publication: Fluorescent nucleoside analogue displays enhanced emission upon pairing with guanine.
• Authors of publication: Xie, Yun; Maxson, Tucker; Tor, Yitzhak
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2010
• Journal volume: 8
• Journal issue: 22
• Pages of publication: 5053 - 5055
• a: 6.837 ± 0.002 Å
• b: 10.47 ± 0.005 Å
• c: 18.506 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1324.7 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No