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Information card for entry 7054303
Preview
| Coordinates | 7054303.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H19 N3 O3 |
|---|---|
| Calculated formula | C19 H19 N3 O3 |
| Title of publication | An activated coumarin-enamine Michael acceptor for CN− |
| Authors of publication | Davis, Aaron B.; Lambert, Rachel E.; Fronczek, Frank R.; Cragg, Peter J.; Wallace, Karl J. |
| Journal of publication | New J. Chem. |
| Year of publication | 2014 |
| Journal volume | 38 |
| Journal issue | 10 |
| Pages of publication | 4678 |
| a | 5.079 ± 0.0004 Å |
| b | 12.8141 ± 0.001 Å |
| c | 13.2671 ± 0.0009 Å |
| α | 70.308 ± 0.005° |
| β | 80.767 ± 0.005° |
| γ | 88.005 ± 0.005° |
| Cell volume | 802.26 ± 0.11 Å3 |
| Cell temperature | 100 ± 0.5 K |
| Ambient diffraction temperature | 100 ± 0.5 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0545 |
| Residual factor for significantly intense reflections | 0.0454 |
| Weighted residual factors for significantly intense reflections | 0.1301 |
| Weighted residual factors for all reflections included in the refinement | 0.141 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7054303.cif |
| 124865 | 2014-10-06 | cif/ Updating files of 7054303 Original log message: Adding full bibliography for 7054303.cif. |
7054303.cif |
| 119818 | 2014-07-09 | cif/ Adding structures of 7054303 via cif-deposit CGI script. |
7054303.cif |
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Users of the data should acknowledge the original authors of the
structural data.