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Information card for entry 7131582
Preview
Coordinates | 7131582.cif |
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Original paper (by DOI) | HTML |
Formula | C16 H20 F3 N3 O4 |
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Calculated formula | C16 H20 F3 N3 O4 |
Title of publication | Synergistic n → π* and n<sub>N</sub> → π*<sub>Ar</sub> interactions in C-terminal modified prolines: effect on Xaa-Pro <i>cis</i>/<i>trans</i> equilibrium. |
Authors of publication | Deka, Jugal Kishore Rai; Borah, Debashree; Das, Paramesh; Sahariah, Biswajit; Vishnoi, Pratap; Sarma, Bani Kanta |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2023 |
Journal volume | 59 |
Journal issue | 40 |
Pages of publication | 6080 - 6083 |
a | 16.38 ± 0.003 Å |
b | 6.0768 ± 0.0012 Å |
c | 18.447 ± 0.004 Å |
α | 90° |
β | 93.389 ± 0.009° |
γ | 90° |
Cell volume | 1833 ± 0.6 Å3 |
Cell temperature | 300 ± 2 K |
Ambient diffraction temperature | 300.01 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 | 0.1229 |
Residual factor for significantly intense reflections | 0.0596 |
Weighted residual factors for significantly intense reflections | 0.1572 |
Weighted residual factors for all reflections included in the refinement | 0.195 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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