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Information card for entry 1501963
Preview
| Coordinates | 1501963.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H35 I2 N O5 |
|---|---|
| Calculated formula | C24 H35 I2 N O5 |
| SMILES | [I-].I[C@@H]1[C@H]2[N+](CC1)([C@H]([C@H]1[C@@H]2OC(O1)(C)C)[C@@H](O)C(=O)OC(C)(C)C)[C@H](C)c1ccccc1 |
| 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 | 8.3429 ± 0.0002 Å |
| b | 8.7613 ± 0.0003 Å |
| c | 9.7629 ± 0.0003 Å |
| α | 96.9997 ± 0.0019° |
| β | 101.396 ± 0.0018° |
| γ | 96.5153 ± 0.0014° |
| Cell volume | 687.36 ± 0.04 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 5 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0255 |
| Residual factor for significantly intense reflections | 0.0242 |
| Weighted residual factors for all reflections | 0.0558 |
| Weighted residual factors for significantly intense reflections | 0.0546 |
| Weighted residual factors for all reflections included in the refinement | 0.0558 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0144 |
| 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. |
1501963.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1501963.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1501963.cif |
| 35301 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1501963 via cif-deposit CGI script. |
1501963.cif |
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Users of the data should acknowledge the original authors of the
structural data.