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Information card for entry 7117043
Preview
| Coordinates | 7117043.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Hiro-40 |
|---|---|
| Chemical name | compound11 |
| Formula | C26 H28 N2 O3 |
| Calculated formula | C26 H28 N2 O3 |
| SMILES | C1CC[C@@H]([C@@H](c2ccc3ccccc3c2)N1C(=O)c1ccc(cc1)N(=O)=O)C(C)(C)C.C1CC[C@H]([C@H](c2ccc3ccccc3c2)N1C(=O)c1ccc(cc1)N(=O)=O)C(C)(C)C |
| Title of publication | Stereocontrolled synthesis of vicinally functionalized piperidines by nucleophilic beta-addition of alkyllithiums to alpha-aryl substituted piperidine enecarbamates |
| Authors of publication | Timothy K. Beng; Hironori Takeuchi; Manuel Weber; Richmond Sarpong |
| Journal of publication | Chem.Commun. |
| Year of publication | 2015 |
| Journal volume | 51 |
| Pages of publication | 7653 |
| a | 7.2482 ± 0.0008 Å |
| b | 12.373 ± 0.0013 Å |
| c | 24.27 ± 0.003 Å |
| α | 90° |
| β | 97.43 ± 0.002° |
| γ | 90° |
| Cell volume | 2158.3 ± 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0508 |
| Residual factor for significantly intense reflections | 0.039 |
| Weighted residual factors for significantly intense reflections | 0.091 |
| Weighted residual factors for all reflections included in the refinement | 0.1016 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7117043.cif |
| 204147 | 2017-12-11 | cif/ Correcting the '_space_group.centring_type' data item enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5887. |
7117043.cif |
| 180284 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/70. |
7117043.cif |
| 135337 | 2015-04-23 | cif/ Adding structures of 7117043, 7117044 via cif-deposit CGI script. |
7117043.cif |
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Users of the data should acknowledge the original authors of the
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