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Information card for entry 1514208
Preview
| Coordinates | 1514208.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C16 H15 N O3 |
|---|---|
| Calculated formula | C16 H15 N O3 |
| SMILES | C(=N\c1ccc(cc1)OC)(/c1ccccc1)C(=O)OC |
| Title of publication | Asymmetric Synthesis of α-Allyl-α-Aryl α-Amino Acids by Tandem Alkylation/π-Allylation of α-Iminoesters. |
| Authors of publication | Curto, John M; Dickstein, Joshua S; Berritt, Simon; Kozlowski, Marisa C |
| Journal of publication | Organic letters |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 7 |
| Pages of publication | 1948 - 1951 |
| a | 9.0234 ± 0.001 Å |
| b | 9.1282 ± 0.0015 Å |
| c | 10.3014 ± 0.0013 Å |
| α | 78.99 ± 0.02° |
| β | 70.106 ± 0.018° |
| γ | 65.402 ± 0.015° |
| Cell volume | 724.2 ± 0.2 Å3 |
| Cell temperature | 296 ± 1 K |
| Ambient diffraction temperature | 296 ± 1 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 | 0.0586 |
| Residual factor for significantly intense reflections | 0.0495 |
| Weighted residual factors for significantly intense reflections | 0.1367 |
| Weighted residual factors for all reflections included in the refinement | 0.15 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1514208.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1514208.cif |
| 110597 | 2014-04-19 | cif/ Updating files of 1514208 Original log message: Adding full bibliography for ./tmp-cod-update-bibliographies-8800/cifs/1514208.cif. |
1514208.cif |
| 108712 | 2014-04-02 | cif/ Adding structures of 1514208 via cif-deposit CGI script. |
1514208.cif |
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Users of the data should acknowledge the original authors of the
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