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Information card for entry 7104819
Preview
Coordinates | 7104819.cif |
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Original paper (by DOI) | HTML |
Chemical name | 1-(N-Boc-aminoethyl)-4R-O-mesyl-5-one-proline methyl ester |
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Formula | C14 H24 N2 O8 S |
Calculated formula | C14 H24 N2 O8 S |
SMILES | S(=O)(=O)(O[C@H]1C(=O)N([C@H](C(=O)OC)C1)CCNC(=O)OC(C)(C)C)C |
Title of publication | Expanding the repertoire of pyrrolidyl PNA analogues for DNA/RNA hybridization selectivity: aminoethylpyrrolidinone PNA (aepone-PNA) |
Authors of publication | Sharma, Nagendra K.; Ganesh, Krishna N. |
Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
Year of publication | 2003 |
Journal issue | 19 |
Pages of publication | 2484 - 2485 |
a | 12.739 ± 0.005 Å |
b | 9.294 ± 0.004 Å |
c | 15.994 ± 0.006 Å |
α | 90° |
β | 103.419 ± 0.008° |
γ | 90° |
Cell volume | 1841.9 ± 1.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0816 |
Residual factor for significantly intense reflections | 0.0652 |
Weighted residual factors for significantly intense reflections | 0.1213 |
Weighted residual factors for all reflections included in the refinement | 0.1283 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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