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Information card for entry 7218911
Preview
| Coordinates | 7218911.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 4-Phenyl-Pyridine-N-oxide b-cyclodextrin hendecahydrate |
|---|---|
| Formula | C106 H202 N2 O94 |
| Calculated formula | C106 H158 N2 O94.0001 |
| Title of publication | Studies on polymorph conversion in a new cyclodextrin inclusion compound |
| Authors of publication | Fernandes, José A.; Ramos, Ana I.; Ribeiro-Claro, Paulo; Almeida Paz, Filipe A.; Braga, Susana S. |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 4 |
| Pages of publication | 937 |
| a | 15.281 ± 0.003 Å |
| b | 15.431 ± 0.003 Å |
| c | 17.911 ± 0.004 Å |
| α | 99.573 ± 0.009° |
| β | 113.073 ± 0.009° |
| γ | 102.518 ± 0.01° |
| Cell volume | 3641.8 ± 1.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.1808 |
| Residual factor for significantly intense reflections | 0.1384 |
| Weighted residual factors for significantly intense reflections | 0.3494 |
| Weighted residual factors for all reflections included in the refinement | 0.3831 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.405 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180520 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/89. |
7218911.cif |
| 133143 | 2015-03-06 | cif/ Updating files of 7218911, 7218912 Original log message: Adding full bibliography for 7218911--7218912.cif. |
7218911.cif |
| 127891 | 2014-11-26 | cif/ Adding structures of 7218911, 7218912 via cif-deposit CGI script. |
7218911.cif |
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Users of the data should acknowledge the original authors of the
structural data.