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Information card for entry 7206770
Preview
| Coordinates | 7206770.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H19 N O4 |
|---|---|
| Calculated formula | C16 H19 N O4 |
| SMILES | O1C(=O)/C(=C/C(=O)OCC)Nc2cc(ccc12)C(C)(C)C |
| Title of publication | Introduction of a clean and promising protocol for the synthesis of β-amino-acrylates and 1,4-benzoheterocycles: an emerging innovation |
| Authors of publication | Choudhary, Garima; Peddinti, Rama Krishna |
| Journal of publication | Green Chemistry |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 11 |
| Pages of publication | 3290 |
| a | 7.236 ± 0.002 Å |
| b | 9.233 ± 0.002 Å |
| c | 12.061 ± 0.003 Å |
| α | 85.83 ± 0.04° |
| β | 82.48 ± 0.04° |
| γ | 73.52 ± 0.04° |
| Cell volume | 765.5 ± 0.4 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 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 | 0.0701 |
| Residual factor for significantly intense reflections | 0.0597 |
| Weighted residual factors for significantly intense reflections | 0.1436 |
| Weighted residual factors for all reflections included in the refinement | 0.1495 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.154 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180398 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/67. |
7206770.cif |
| 171447 | 2015-12-11 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_systematic tags with placeholder values from multiple entries. |
7206770.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7206770.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7206770.cif |
| 30079 | 2011-11-09 | ../uploads/cif-deposit/cod/cif Adding structures of 7206770 via cif-deposit CGI script. |
7206770.cif |
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Users of the data should acknowledge the original authors of the
structural data.