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Information card for entry 4024957
Preview
| Coordinates | 4024957.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Compound JB236 |
|---|---|
| Formula | C20 H31 N3 O4 |
| Calculated formula | C40 H44 N6 O8 |
| Title of publication | Further Evidence for 2-Alkyl-2-carboxyazetidines as γ-Turn Inducers |
| Authors of publication | José Luis Baeza; Guillermo Gerona-Navarro; Kevin Thompson; M. Jesús Pérez de Vega; Lourdes Infantes; M. Teresa García-López; Rosario González-Muñiz; Mercedes Martín-Martínez |
| Journal of publication | Journal of Organic Chemistry |
| Year of publication | 2009 |
| Journal volume | 74 |
| Pages of publication | 8203 - 8211 |
| a | 12.022 ± 0.002 Å |
| b | 9.727 ± 0.002 Å |
| c | 18.519 ± 0.002 Å |
| α | 90° |
| β | 96.59 ± 0.01° |
| γ | 90° |
| Cell volume | 2151.3 ± 0.6 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0642 |
| Residual factor for significantly intense reflections | 0.058 |
| Weighted residual factors for significantly intense reflections | 0.1532 |
| Weighted residual factors for all reflections included in the refinement | 0.1586 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178428 (current) | 2016-03-21 | cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/49. |
4024957.cif |
| 120074 | 2014-07-11 | Adding DOIs to range 4/02 structures. | 4024957.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4024957.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
4024957.cif |
| 948 | 2010-01-19 | cif/ Adding CIFs for the Acta-Cryst-B-2009_06/ Acta-Cryst-C-2009_12/ Acta-Cryst-E-2009_12/ J-Appl-Cryst-2009_06/ J-Org-Chem-2009/ deposition. |
4024957.cif |
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