Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4070832
Preview
| Coordinates | 4070832.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | compound 3 |
|---|---|
| Formula | C36 H73 Li O2 Si7 |
| Calculated formula | C36 H73 Li O2 Si7 |
| SMILES | [Si]12([CH]3=[CH]4C5[CH]6=[CH]1[Li]13456[O](C)CC[O]1C)c1c(cc(cc1C2([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C |
| Title of publication | Reduction of a Kinetically Stabilized Silabenzene Leading to the Formation of the Corresponding Anion Radical Species† |
| Authors of publication | Matsumoto, Takeshi; Sasamori, Takahiro; Sato, Kazunobu; Takui, Takeji; Tokitoh, Norihiro |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 3 |
| Pages of publication | 305 |
| a | 13.5762 ± 0.0001 Å |
| b | 17.8032 ± 0.0002 Å |
| c | 21.6131 ± 0.0002 Å |
| α | 101.868 ± 0.0005° |
| β | 98.5113 ± 0.0005° |
| γ | 108.785 ± 0.0008° |
| Cell volume | 4708.73 ± 0.08 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0378 |
| Residual factor for significantly intense reflections | 0.0322 |
| Weighted residual factors for significantly intense reflections | 0.0843 |
| Weighted residual factors for all reflections included in the refinement | 0.0877 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4070832.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070832.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070832.cif |
| 42731 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070832 via cif-deposit CGI script. |
4070832.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.