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Information card for entry 4035441
Preview
Coordinates | 4035441.cif |
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Original paper (by DOI) | HTML |
Formula | C18 H14 N2 O3 |
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Calculated formula | C18 H14 N2 O3 |
SMILES | O=C1C(Nc2c1cccc2)(C(=O)OC)c1c[nH]c2c1cccc2 |
Title of publication | Dual Catalytic Synthesis of Antiviral Compounds Based on Metallocarbene-Azide Cascade Chemistry. |
Authors of publication | Atienza, Bren Jordan P.; Jensen, Lionel D.; Noton, Sarah L.; Ansalem, Anil Kumar Victoria; Hobman, Tom; Fearns, Rachel; Marchant, David J.; West, F. G. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2018 |
Journal volume | 83 |
Journal issue | 13 |
Pages of publication | 6829 - 6842 |
a | 11.917 ± 0.0004 Å |
b | 7.9729 ± 0.0003 Å |
c | 15.3812 ± 0.0005 Å |
α | 90° |
β | 92.5421 ± 0.0004° |
γ | 90° |
Cell volume | 1459.98 ± 0.09 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0413 |
Residual factor for significantly intense reflections | 0.0355 |
Weighted residual factors for significantly intense reflections | 0.0921 |
Weighted residual factors for all reflections included in the refinement | 0.0965 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
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/4035441.html
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