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Information card for entry 1515155
Preview
| Coordinates | 1515155.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H12 Br2 O6 |
|---|---|
| Calculated formula | C24 H12 Br2 O6 |
| SMILES | Brc1cocc1c1cocc1c1cocc1c1cocc1c1cocc1c1cocc1Br |
| Title of publication | β-Oligofurans |
| Authors of publication | Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S. |
| Journal of publication | Chemical Science |
| Year of publication | 2012 |
| Journal volume | 3 |
| Journal issue | 6 |
| Pages of publication | 2133 |
| a | 6.9255 ± 0.0007 Å |
| b | 7.3969 ± 0.0007 Å |
| c | 11.6514 ± 0.0011 Å |
| α | 72.785 ± 0.005° |
| β | 78.03 ± 0.006° |
| γ | 63.603 ± 0.005° |
| Cell volume | 508.68 ± 0.09 Å3 |
| Cell temperature | 200 K |
| Ambient diffraction temperature | 200 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.097 |
| Residual factor for significantly intense reflections | 0.0652 |
| Weighted residual factors for all reflections | 0.1586 |
| Weighted residual factors for significantly intense reflections | 0.1409 |
| Weighted residual factors for all reflections included in the refinement | 0.1586 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0534 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1515155.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. |
1515155.cif |
| 110884 | 2014-04-20 | cif/ Adding structures of 1515149, 1515150, 1515151, 1515152, 1515153, 1515154, 1515155, 1515156, 1515157, 1515158, 1515159, 1515160 via cif-deposit CGI script. |
1515155.cif |
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Users of the data should acknowledge the original authors of the
structural data.