Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1501964
Preview
| Coordinates | 1501964.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H27 I2 N O5 |
|---|---|
| Calculated formula | C16 H27 I2 N O5 |
| SMILES | [I-].I[C@@H]1[C@H]2[NH+]([C@H]([C@H]3[C@@H]2OC(O3)(C)C)[C@@H](O)C(=O)OC(C)(C)C)CC1 |
| Title of publication | Asymmetric synthesis of polyhydroxylated pyrrolizidines via transannular iodoamination with concomitant N-debenzylation. |
| Authors of publication | Brock, E. Anne; Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E. |
| Journal of publication | Organic letters |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 7 |
| Pages of publication | 1594 - 1597 |
| a | 11.4404 ± 0.0003 Å |
| b | 12.2759 ± 0.0003 Å |
| c | 14.3996 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2022.3 ± 0.09 Å3 |
| Cell temperature | 1 K |
| Ambient diffraction temperature | 1 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0439 |
| Residual factor for significantly intense reflections | 0.0377 |
| Weighted residual factors for all reflections | 0.0898 |
| Weighted residual factors for significantly intense reflections | 0.0842 |
| Weighted residual factors for all reflections included in the refinement | 0.0898 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.8829 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176435 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1501964.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1501964.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1501964.cif |
| 35302 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1501964 via cif-deposit CGI script. |
1501964.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.