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Information card for entry 4066440
Preview
| Coordinates | 4066440.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 5a |
|---|---|
| Chemical name | 6[(chlorodimethylsilyl)methyl]-2,2-dimethyl-2H-[1,4,2]oxazasilolo[4,5-c]pyrimidine-5,7(3H,6H)-dione |
| Formula | C10 H17 Cl N2 O3 Si2 |
| Calculated formula | C10 H17 Cl N2 O3 Si2 |
| SMILES | [Si]1(OC2N(C1)C(=O)N1C(C=2)=[O][Si](Cl)(C1)(C)C)(C)C |
| Title of publication | Dinuclear Silicon Complexes of Uracil, Barbituric Acid, and 5,5-Dimethylbarbituric Acid: Hydrolytic Formation of Cyclic Oligomers(1)† |
| Authors of publication | Kertsnus-Banchik, Evgenia; Gostevskii, Boris; Botoshansky, Mark; Kalikhman, Inna; Kost, Daniel |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 21 |
| Pages of publication | 5435 |
| a | 11.19 ± 0.002 Å |
| b | 13.114 ± 0.003 Å |
| c | 19.667 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2886 ± 1 Å3 |
| Cell temperature | 240 ± 1 K |
| Ambient diffraction temperature | 240 ± 1 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1169 |
| Residual factor for significantly intense reflections | 0.045 |
| Weighted residual factors for significantly intense reflections | 0.0941 |
| Weighted residual factors for all reflections included in the refinement | 0.1113 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.932 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178556 (current) | 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 4/06/64. |
4066440.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4066440.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4066440.cif |
| 33891 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4066440, 4066441 via cif-deposit CGI script. |
4066440.cif |
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