Information card for entry 7153054

Structure parameters

• Formula: C21 H24 N4 O6 S
• Calculated formula: C21 H24 N4 O6 S
• SMILES: S(=O)(=O)(Nc1nc(=O)n(cc1)[C@@H]1O[C@@H]([C@@H](O)C1)CO)c1c2cccc(N(C)C)c2ccc1
• Title of publication: (DNS)C: a fluorescent, environmentally sensitive cytidine derivative for the direct detection of GGG triad sequences.
• Authors of publication: Kim, Ki Tae; Kim, Hyun Woo; Moon, Dohyun; Rhee, Young Min; Kim, Byeang Hyean
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 34
• Pages of publication: 5605 - 5614
• a: 8.228 ± 0.0016 Å
• b: 8.35 ± 0.0017 Å
• c: 15.938 ± 0.003 Å
• α: 90°
• β: 99.9 ± 0.03°
• γ: 90°
• Cell volume: 1078.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0434
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.72999 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No