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Information card for entry 1507379
Preview
| Coordinates | 1507379.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C13 H15 N O |
|---|---|
| Calculated formula | C13 H15 N O |
| SMILES | C1(=O)C(CCC1)=CNCc1ccccc1 |
| Title of publication | Lewis acid-mediated reactions of alkyl azides with alpha,beta-unsaturated ketones. |
| Authors of publication | Reddy, D. Srinivasa; Judd, Weston R.; Aubé, Jeffrey |
| Journal of publication | Organic letters |
| Year of publication | 2003 |
| Journal volume | 5 |
| Journal issue | 21 |
| Pages of publication | 3899 - 3902 |
| a | 5.619 ± 0.0011 Å |
| b | 17.63 ± 0.004 Å |
| c | 10.943 ± 0.002 Å |
| α | 90° |
| β | 94.254 ± 0.004° |
| γ | 90° |
| Cell volume | 1081.1 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0444 |
| Residual factor for significantly intense reflections | 0.0399 |
| Weighted residual factors for significantly intense reflections | 0.1046 |
| Weighted residual factors for all reflections included in the refinement | 0.108 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201954 (current) | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1507379.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. |
1507379.cif |
| 131991 | 2015-02-18 | cif/1/ (antanas@koala.ibt.lt) Removing extra trailing '�%' repetitions from 38 CIFs in 1/50/. |
1507379.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1507379.cif |
| 53873 | 2012-04-20 | cif/ Adding structures of 1507379 via cif-deposit CGI script. |
1507379.cif |
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Users of the data should acknowledge the original authors of the
structural data.