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Information card for entry 1507265
Preview
| Coordinates | 1507265.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C19 H18 O4 S |
|---|---|
| Calculated formula | C19 H18 O4 S |
| SMILES | c1(ccccc1)S(=O)(=O)[C@H]1c2c(cccc2)C(=O)[C@H]2[C@@H]1CO[C@@H]2C |
| Title of publication | Dearomatizing cyclization of arylsulfonylalkoxymethyl lithiums: a route to the podophyllotoxin skeleton. |
| Authors of publication | Clayden, Jonathan; Kenworthy, Martin N.; Helliwell, Madeleine |
| Journal of publication | Organic letters |
| Year of publication | 2003 |
| Journal volume | 5 |
| Journal issue | 6 |
| Pages of publication | 831 - 834 |
| a | 11.9356 ± 0.0015 Å |
| b | 6.2078 ± 0.0008 Å |
| c | 11.9749 ± 0.0015 Å |
| α | 90° |
| β | 115.838 ± 0.002° |
| γ | 90° |
| Cell volume | 798.57 ± 0.18 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0392 |
| Residual factor for significantly intense reflections | 0.0353 |
| Weighted residual factors for significantly intense reflections | 0.0804 |
| Weighted residual factors for all reflections included in the refinement | 0.0818 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.976 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1507265.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. |
1507265.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. |
1507265.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1507265.cif |
| 53778 | 2012-04-20 | cif/ Adding structures of 1507265 via cif-deposit CGI script. |
1507265.cif |
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Users of the data should acknowledge the original authors of the
structural data.