Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4070314
Preview
| Coordinates | 4070314.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C42 H52 N4 Si |
|---|---|
| Calculated formula | C42 H52 N4 Si |
| SMILES | [Si@@]12(N(N)C(=C3[C@H]2C=CC=C3)c2ccccc2)N(c2c(cccc2C(C)C)C(C)C)C(=CC(=C)N1c1c(cccc1C(C)C)C(C)C)C.[Si@]12(N(N)C(=C3[C@@H]2C=CC=C3)c2ccccc2)N(c2c(cccc2C(C)C)C(C)C)C(=CC(=C)N1c1c(cccc1C(C)C)C(C)C)C |
| Title of publication | Insertion Reaction of a Silylene into a N−H Bond of Hydrazine and a [1+4] Cycloaddition with Diphenyl Hydrazone§ |
| Authors of publication | Jana, Anukul; Roesky, Herbert W.; Schulzke, Carola; Samuel, Prinson P. |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 22 |
| Pages of publication | 6574 |
| a | 9.2397 ± 0.0018 Å |
| b | 12.543 ± 0.003 Å |
| c | 16.134 ± 0.003 Å |
| α | 78.93 ± 0.03° |
| β | 84.21 ± 0.03° |
| γ | 77.19 ± 0.03° |
| Cell volume | 1786 ± 0.7 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0441 |
| Residual factor for significantly intense reflections | 0.039 |
| Weighted residual factors for significantly intense reflections | 0.1031 |
| Weighted residual factors for all reflections included in the refinement | 0.1063 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301830 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/07/ Each referenced PubChem compound corresponds to the full crystal structure. |
4070314.cif |
| 178592 | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/03. |
4070314.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4070314.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070314.cif |
| 40685 | 2012-03-08 | ../uploads/cif-deposit/cod/cif Adding structures of 4070313, 4070314 via cif-deposit CGI script. |
4070314.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.