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Information card for entry 1503793
Preview
| Coordinates | 1503793.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Common name | 7,6-spirolactam |
|---|---|
| Chemical name | (1<i>R</i>,6<i>R</i>)-1-Methyl-8-azaspiro[5.6]dodecan-7-one |
| Formula | C12 H21 N O |
| Calculated formula | C12 H21 N O |
| SMILES | [C@H]1(CCCC[C@@]21C(=O)NCCCC2)C |
| Title of publication | Synthesis of enantiopure bicyclic alpha,alpha-disubstituted spirolactams via asymmetric Birch reductive alkylation. |
| Authors of publication | Guéret, Stéphanie M; O'Connor, Patrick D; Brimble, Margaret A. |
| Journal of publication | Organic letters |
| Year of publication | 2009 |
| Journal volume | 11 |
| Journal issue | 4 |
| Pages of publication | 963 - 966 |
| a | 8.5417 ± 0.0002 Å |
| b | 10.2807 ± 0.0002 Å |
| c | 12.64 ± 0.0003 Å |
| α | 102.85 ± 0.001° |
| β | 90.091 ± 0.001° |
| γ | 91.488 ± 0.001° |
| Cell volume | 1081.78 ± 0.04 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0438 |
| Residual factor for significantly intense reflections | 0.0396 |
| Weighted residual factors for significantly intense reflections | 0.1003 |
| Weighted residual factors for all reflections included in the refinement | 0.1038 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 208164 (current) | 2018-06-07 | cif/ Updating space group information in entries 1503793, 1514550, 1548358, 4100260, 7224350. |
1503793.cif |
| 201954 | 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. |
1503793.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. |
1503793.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1503793.cif |
| 39083 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 1503793 via cif-deposit CGI script. |
1503793.cif |
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Users of the data should acknowledge the original authors of the
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