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Information card for entry 7151726
Preview
| Coordinates | 7151726.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C8 H13 N O3 |
|---|---|
| Calculated formula | C8 H13 N O3 |
| SMILES | N1C(=O)OC[C@@H]1[C@H](CO)CC=C |
| Title of publication | Transannular dipolar cycloaddition as an approach towards the synthesis of the core ring system of the sarain alkaloids. |
| Authors of publication | Franklin, Andrew I.; Bensa, David; Adams, Harry; Coldham, Iain |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2011 |
| Journal volume | 9 |
| Journal issue | 6 |
| Pages of publication | 1901 - 1907 |
| a | 6.0046 ± 0.0014 Å |
| b | 6.104 ± 0.0014 Å |
| c | 12.099 ± 0.003 Å |
| α | 90° |
| β | 103.144 ± 0.004° |
| γ | 90° |
| Cell volume | 431.84 ± 0.18 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.036 |
| Residual factor for significantly intense reflections | 0.0319 |
| Weighted residual factors for significantly intense reflections | 0.0832 |
| Weighted residual factors for all reflections included in the refinement | 0.0855 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.106 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7151726.cif |
| 180303 | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/17. |
7151726.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151726.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151726.cif |
| 15008 | 2011-03-12 | ../uploads/cif-deposit/cod/cif Adding structures of 7151726, 7151727 via cif-deposit CGI script. |
7151726.cif |
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Users of the data should acknowledge the original authors of the
structural data.