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Information card for entry 1507415
Preview
| Coordinates | 1507415.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C15 H20 O5 |
|---|---|
| Calculated formula | C15 H20 O5 |
| SMILES | O=C1OC[C@@H]2[C@]1(C=O)CCC(=C2C)[C@H]1OC(OC1)(C)C |
| Title of publication | Studies on the synthesis of gymnodimine. construction of the spiroimine portion via Diels-Alder cycloaddition. |
| Authors of publication | White, James D.; Wang, Guoqiang; Quaranta, Laura |
| Journal of publication | Organic letters |
| Year of publication | 2003 |
| Journal volume | 5 |
| Journal issue | 26 |
| Pages of publication | 4983 - 4986 |
| a | 9.378 ± 0.0011 Å |
| b | 10.968 ± 0.0012 Å |
| c | 13.966 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1436.5 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 290 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.037 |
| Residual factor for significantly intense reflections | 0.034 |
| Weighted residual factors for significantly intense reflections | 0.091 |
| Weighted residual factors for all reflections included in the refinement | 0.0933 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201954 (current) | 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. |
1507415.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. |
1507415.cif |
| 131991 | 2015-02-18 | cif/1/ (antanas@koala.ibt.lt) Removing extra trailing '�%' repetitions from 38 CIFs in 1/50/. |
1507415.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1507415.cif |
| 53905 | 2012-04-20 | cif/ Adding structures of 1507415 via cif-deposit CGI script. |
1507415.cif |
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Users of the data should acknowledge the original authors of the
structural data.