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Information card for entry 7112946
Preview
| Coordinates | 7112946.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C72.5 H28.5 Cl1.5 O12 |
|---|---|
| Calculated formula | C72.5 H28 Cl1.5 O12 |
| Title of publication | Carving two adjacent holes on [60]fullerene through two consecutive epoxide to diol to dione transformations. |
| Authors of publication | Xiao, Zuo; Yao, Jiayao; Yu, Yuming; Jia, Zhenshan; Gan, Liangbing |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2010 |
| Journal volume | 46 |
| Journal issue | 44 |
| Pages of publication | 8365 - 8367 |
| a | 19.2672 ± 0.0002 Å |
| b | 15.0967 ± 0.0002 Å |
| c | 20.0629 ± 0.0003 Å |
| α | 90° |
| β | 105.348 ± 0.0007° |
| γ | 90° |
| Cell volume | 5627.58 ± 0.13 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1118 |
| Residual factor for significantly intense reflections | 0.0797 |
| Weighted residual factors for significantly intense reflections | 0.2531 |
| Weighted residual factors for all reflections included in the refinement | 0.2736 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198633 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_refine_ls_hydrogen_treatment' data item 'constr' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 700 files were changed. |
7112946.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7112946.cif |
| 112176 | 2014-04-30 | cif/ Adding structures of 7112946 via cif-deposit CGI script. |
7112946.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.