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Information card for entry 4510774
Preview
| Coordinates | 4510774.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Docetaxel trihydrate |
|---|---|
| Formula | C43 H59 N O17 |
| Calculated formula | C41.882 H38.822 N O17 |
| Title of publication | The Devil is in the Detail: A Rare H-Bonding Motif in New Forms of Docetaxel |
| Authors of publication | Vella-Zarb, Liana; Dinnebier, Robert E.; Baisch, Ulrich |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2013 |
| Journal volume | 13 |
| Journal issue | 10 |
| Pages of publication | 4402 |
| a | 8.6619 ± 0.0008 Å |
| b | 12.7429 ± 0.0009 Å |
| c | 39.838 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4397.2 ± 0.7 Å3 |
| Ambient diffraction temperature | 293.15 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Goodness-of-fit parameter for all reflections | 1.823 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54059 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179654 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/07. |
4510774.cif |
| 113158 | 2014-05-08 | cif/ Adding structures of 4510771, 4510772, 4510773, 4510774, 4510775, 4510776 via cif-deposit CGI script. |
4510774.cif |
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Users of the data should acknowledge the original authors of the
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