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Information card for entry 4025124
Preview
| Coordinates | 4025124.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C11 H22 N2 O2 |
|---|---|
| Calculated formula | C11 H22 N2 O2 |
| SMILES | N1[C@H](C[C@@H](O)C[C@H]1C(C)(C)C)C(=O)NC.N1[C@@H](C[C@H](O)C[C@@H]1C(C)(C)C)C(=O)NC |
| Title of publication | The Vinylfluoro Group as an Acetonyl Cation Equivalent: Stereoselective Synthesis of 6-Substituted 4-Hydroxy Pipecolic Acid Derivatives |
| Authors of publication | Nirupam Purkayastha; Deepak M. Shendage; Roland Fröhlich; Günter Haufe |
| Journal of publication | Journal of Organic Chemistry |
| Year of publication | 2010 |
| Journal volume | 75 |
| Pages of publication | 222 - 225 |
| a | 24.5675 ± 0.0013 Å |
| b | 9.4469 ± 0.0005 Å |
| c | 12.9022 ± 0.0006 Å |
| α | 90° |
| β | 99.489 ± 0.003° |
| γ | 90° |
| Cell volume | 2953.5 ± 0.3 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0768 |
| Residual factor for significantly intense reflections | 0.0699 |
| Weighted residual factors for significantly intense reflections | 0.2086 |
| Weighted residual factors for all reflections included in the refinement | 0.2177 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301812 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 4/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
4025124.cif |
| 178430 | 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 4/02/51. |
4025124.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4025124.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4025124.cif |
| 10895 | 2011-02-14 | ../uploads/cif-deposit/cod/cif Adding structures of 4025124 via cif-deposit CGI script. |
4025124.cif |
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