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Information card for entry 4032240
Preview
Coordinates | 4032240.cif |
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Original paper (by DOI) | HTML |
Formula | C22 H23 N3 O5 |
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Calculated formula | C22 H23 N3 O5 |
SMILES | N1(N=C(N(C1(CC(=O)OC)C(=O)OC)c1ccccc1)C(=O)C)c1ccc(C)cc1 |
Title of publication | Synthesis and Fluorescent Behaviour of 2-Aryl-4,5-dihydro-1H-1,2,4-triazoles. |
Authors of publication | Eliseeva, Alexandra I.; Nesterenko, Olga O.; Slepukhin, Pavel A.; Benassi, Enrico; Belskaya, Nataliya P. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 1 |
Pages of publication | 86 - 100 |
a | 7.8569 ± 0.0005 Å |
b | 18.165 ± 0.002 Å |
c | 14.8317 ± 0.0017 Å |
α | 90° |
β | 98.142 ± 0.008° |
γ | 90° |
Cell volume | 2095.5 ± 0.4 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0972 |
Residual factor for significantly intense reflections | 0.0386 |
Weighted residual factors for significantly intense reflections | 0.077 |
Weighted residual factors for all reflections included in the refinement | 0.0817 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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