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Information card for entry 7159366
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Coordinates | 7159366.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H15 N O2 |
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Calculated formula | C12 H15 N O2 |
SMILES | c1ccccc1C(=O)NC(=O)C(C)(C)C |
Title of publication | Amidic resonance not a barrier for transamidation of <i>N</i>-pivaloyl activated amides: catalyst, base and additive free conditions. |
Authors of publication | Samuel Rajan, Ida Angel Priya; Rajendran, Saravanakumar |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2023 |
Journal volume | 21 |
Journal issue | 23 |
Pages of publication | 4760 - 4765 |
a | 6.5034 ± 0.0009 Å |
b | 20.107 ± 0.003 Å |
c | 9.4107 ± 0.0013 Å |
α | 90° |
β | 108.768 ± 0.006° |
γ | 90° |
Cell volume | 1165.1 ± 0.3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.06 |
Residual factor for significantly intense reflections | 0.0451 |
Weighted residual factors for significantly intense reflections | 0.1087 |
Weighted residual factors for all reflections included in the refinement | 0.1162 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7159366.html
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structural data.