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Information card for entry 4036879
Preview
Coordinates | 4036879.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C52 H58 K2 N2 O17 |
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Calculated formula | C52 H58 K2 N2 O17 |
Title of publication | Regioselective Hydrolysis and Transesterification of Dimethyl 3-Benzamidophthalates Assisted by a Neighboring Amide Group. |
Authors of publication | Krivec, Marko; Perdih, Franc; Košmrlj, Janez; Kočevar, Marijan |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 13 |
Pages of publication | 5732 - 5739 |
a | 14.8093 ± 0.0006 Å |
b | 15.1888 ± 0.0008 Å |
c | 15.3003 ± 0.0005 Å |
α | 112.578 ± 0.004° |
β | 103.373 ± 0.003° |
γ | 110.69 ± 0.004° |
Cell volume | 2691.3 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0861 |
Residual factor for significantly intense reflections | 0.0539 |
Weighted residual factors for significantly intense reflections | 0.1379 |
Weighted residual factors for all reflections included in the refinement | 0.1633 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
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/4036879.html
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Users of the data should acknowledge the original authors of the
structural data.