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Information card for entry 7131584
Preview
Coordinates | 7131584.cif |
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Original paper (by DOI) | HTML |
Formula | C15 H19 N3 O3 |
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Calculated formula | C15 H19 N3 O3 |
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 | 8.364 ± 0.0003 Å |
b | 10.6149 ± 0.0005 Å |
c | 17.5618 ± 0.0009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1559.19 ± 0.12 Å3 |
Cell temperature | 299.99 K |
Ambient diffraction temperature | 299.99 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 | 0.0761 |
Residual factor for significantly intense reflections | 0.0401 |
Weighted residual factors for significantly intense reflections | 0.0904 |
Weighted residual factors for all reflections included in the refinement | 0.1141 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.1213 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7131584.html
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