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Information card for entry 4067540
Preview
| Coordinates | 4067540.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C21 H24 Cl F4 N O2 Si |
|---|---|
| Calculated formula | C21 H24 Cl F4 N O2 Si |
| Title of publication | Sila-Trifluperidol, a Silicon Analogue of the Dopamine (D2) Receptor Antagonist Trifluperidol: Synthesis and Pharmacological Characterization |
| Authors of publication | Tacke, Reinhold; Nguyen, Binh; Burschka, Christian; Lippert, W. Peter; Hamacher, Alexandra; Urban, Christian; Kassack, Matthias U. |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 7 |
| Pages of publication | 1652 |
| a | 18.074 ± 0.003 Å |
| b | 7.0906 ± 0.0007 Å |
| c | 18.197 ± 0.003 Å |
| α | 90° |
| β | 110.189 ± 0.017° |
| γ | 90° |
| Cell volume | 2188.8 ± 0.6 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0701 |
| Residual factor for significantly intense reflections | 0.0444 |
| Weighted residual factors for significantly intense reflections | 0.1055 |
| Weighted residual factors for all reflections included in the refinement | 0.1194 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.991 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301829 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/06/ Each referenced PubChem compound corresponds to the full crystal structure. |
4067540.cif |
| 178566 | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/75. |
4067540.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4067540.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4067540.cif |
| 34224 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4067539, 4067540 via cif-deposit CGI script. |
4067540.cif |
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Users of the data should acknowledge the original authors of the
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