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Information card for entry 4035443
Preview
Coordinates | 4035443.cif |
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Original paper (by DOI) | HTML |
Formula | C34 H36 N2 O3 |
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Calculated formula | C34 H36 N2 O3 |
SMILES | O=C1[C@](Nc2c1cccc2)(c1cn(c2c1cccc2)Cc1ccccc1)C(=O)O[C@H]1[C@@H](CC[C@H](C1)C)C(C)C |
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 | 11.0321 ± 0.0005 Å |
b | 11.4646 ± 0.0005 Å |
c | 11.5824 ± 0.0005 Å |
α | 90° |
β | 95.6775 ± 0.0006° |
γ | 90° |
Cell volume | 1457.74 ± 0.11 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0461 |
Residual factor for significantly intense reflections | 0.0385 |
Weighted residual factors for significantly intense reflections | 0.0903 |
Weighted residual factors for all reflections included in the refinement | 0.0952 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
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/4035443.html
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