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Information card for entry 1557968
Preview
Coordinates | 1557968.cif |
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Original paper (by DOI) | HTML |
Formula | C30 H36 Li2 N6 O2 |
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Calculated formula | C30 H36 Li2 N6 O2 |
Title of publication | Ultrafast amidation of esters using lithium amides under aerobic ambient temperature conditions in sustainable solvents. |
Authors of publication | Fairley, Michael; Bole, Leonie J.; Mulks, Florian F.; Main, Laura; Kennedy, Alan R.; O'Hara, Charles T; García-Alvarez, Joaquín; Hevia, Eva |
Journal of publication | Chemical science |
Year of publication | 2020 |
Journal volume | 11 |
Journal issue | 25 |
Pages of publication | 6500 - 6509 |
a | 9.7406 ± 0.0004 Å |
b | 10.9189 ± 0.0004 Å |
c | 14.1465 ± 0.0007 Å |
α | 90° |
β | 107.012 ± 0.005° |
γ | 90° |
Cell volume | 1438.74 ± 0.11 Å3 |
Cell temperature | 123.35 ± 0.1 K |
Ambient diffraction temperature | 123.35 ± 0.1 K |
Number of distinct elements | 5 |
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 | 0.072 |
Residual factor for significantly intense reflections | 0.0591 |
Weighted residual factors for significantly intense reflections | 0.1634 |
Weighted residual factors for all reflections included in the refinement | 0.183 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
256042 (current) | 2020-09-06 | cif/ Updating files of 1557967, 1557968, 1557969, 1557970 Original log message: Adding full bibliography for 1557967--1557970.cif. |
1557968.cif |
253844 | 2020-07-06 | cif/ Updating files of 1557967, 1557968, 1557969, 1557970 Original log message: Adding full bibliography for 1557967--1557970.cif. |
1557968.cif |
251334 | 2020-05-01 | cif/ Adding structures of 1557967, 1557968, 1557969, 1557970 via cif-deposit CGI script. |
1557968.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.