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Information card for entry 1508053
Preview
| Coordinates | 1508053.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Chemical name | 1,2-dioxa-4,8-diaza-3-sila-spiro[2.5]oct-5-ene, 3-[1,3-dihydro-1,3- bis(1-methylethyl)- 4,5-dimethyl-2H-imidazol-2-ylidene)]-4,8- Bis-[2,6- bis(1-methylethyl)phenyl]-5-methyl-7-methylene- |
|---|---|
| Formula | C40 H60 N4 O2 Si |
| Calculated formula | C40 H60 N4 O2 Si |
| SMILES | [Si]12(OO1)(N(C(=C)C=C(N2c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C)=C1N(C(=C(N1C(C)C)C)C)C(C)C |
| Title of publication | From silicon(II)-based dioxygen activation to adducts of elusive dioxasiliranes and sila-ureas stable at room temperature. |
| Authors of publication | Xiong, Yun; Yao, Shenglai; Müller, Robert; Kaupp, Martin; Driess, Matthias |
| Journal of publication | Nature chemistry |
| Year of publication | 2010 |
| Journal volume | 2 |
| Journal issue | 7 |
| Pages of publication | 577 - 580 |
| a | 13.1928 ± 0.0003 Å |
| b | 20.6445 ± 0.0006 Å |
| c | 15.0686 ± 0.0004 Å |
| α | 90° |
| β | 105.754 ± 0.003° |
| γ | 90° |
| Cell volume | 3949.9 ± 0.19 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1211 |
| Residual factor for significantly intense reflections | 0.0675 |
| Weighted residual factors for significantly intense reflections | 0.1376 |
| Weighted residual factors for all reflections included in the refinement | 0.1559 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201954 (current) | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1508053.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1508053.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1508053.cif |
| 62599 | 2012-07-09 | cif/ Adding structures of 1508053 via cif-deposit CGI script. |
1508053.cif |
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