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Information card for entry 4027233
Preview
Coordinates | 4027233.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H15 F N2 O4 |
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Calculated formula | C12 H15 F N2 O4 |
SMILES | F[C@H]1[C@H](N2C(=O)NC(=O)C(=C2)C)C=C[C@H](CO)[C@H]1O |
Title of publication | Synthesis and Antisense Properties of Fluoro Cyclohexenyl Nucleic Acid (F-CeNA), a Nuclease Stable Mimic of 2'-Fluoro RNA |
Authors of publication | Punit P. Seth; Jinghua Yu; Ali Jazayeri; Pradeep S. Pallan; Charles R Allerson; Michael E. Østergaard; Fengwu Liu; Piet Herdewijn; Martin Egli; Eric E. Swayze |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2012 |
Journal volume | 77 |
Pages of publication | 5074 - 5085 |
a | 20.0342 ± 0.0007 Å |
b | 8.4347 ± 0.0003 Å |
c | 6.9512 ± 0.0002 Å |
α | 90° |
β | 95.392 ± 0.002° |
γ | 90° |
Cell volume | 1169.43 ± 0.07 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 5 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.0254 |
Residual factor for significantly intense reflections | 0.0249 |
Weighted residual factors for significantly intense reflections | 0.0645 |
Weighted residual factors for all reflections included in the refinement | 0.0649 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4027233.html
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