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Information card for entry 4109875
Preview
| Coordinates | 4109875.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C106 H21 Dy O4 P |
|---|---|
| Calculated formula | C106 H21 Dy O4 P |
| SMILES | [Dy]123456789C%10%11[C]%125=[C]54[C]43=[C]32C1([C]19=[C]28[C]87=[C]6%10c6c%12c7c9c5c5c%10c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c%22c(c6c%20c7c(c%15%19)c%14c9%10)c8c6c7c2c2c8c9c7c7c(c(c%18%21)c%10c%17c%14c%15c%17c(c%18c%12c%12c5c4c4c3c(c12)c1c8c2c3c(c%17c5c%18c%12c4c1c25)c%14c%10c7c93)c%13c%16%15)c%226)C%11(C(=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OC)C(=O)OC |
| Title of publication | Synthesis of a Dy@C82 Derivative Bearing a Single Phosphorus Substituent via a Zwitterion Approach |
| Authors of publication | Xiaofang Li; Louzhen Fan; Dongfang Liu; Herman H. Y. Sung; Ian D. Williams; Shihe Yang; Kai Tan; Xin Lu |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Pages of publication | 10636 - 10637 |
| a | 16.7121 ± 0.0006 Å |
| b | 18.3146 ± 0.0006 Å |
| c | 22.235 ± 0.0007 Å |
| α | 90° |
| β | 110.742 ± 0.002° |
| γ | 90° |
| Cell volume | 6364.5 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1039 |
| Residual factor for significantly intense reflections | 0.0754 |
| Weighted residual factors for significantly intense reflections | 0.1854 |
| Weighted residual factors for all reflections included in the refinement | 0.2022 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.965 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178844 (current) | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/98. |
4109875.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4109875.cif |
| 58653 | 2012-05-29 | cif/ Adding structures of 4109875 via cif-deposit CGI script. |
4109875.cif |
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Users of the data should acknowledge the original authors of the
structural data.