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Information card for entry 4070172
Preview
| Coordinates | 4070172.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H20 N2 O2 Si |
|---|---|
| Calculated formula | C22 H20 N2 O2 Si |
| SMILES | [Si]123(Oc4cccc5C=CC(N1c45)CCCC3)Oc1cccc3ccc[n]2c13 |
| Title of publication | Hypercoordinate Silacycloalkanes: Step-by-Step Tuning of N→ Si Interactions§ |
| Authors of publication | Brendler, Erica; Wächtler, Erik; Wagler, Jörg |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 18 |
| Pages of publication | 5459 |
| a | 15.285 ± 0.0012 Å |
| b | 9.7919 ± 0.0006 Å |
| c | 13.3812 ± 0.001 Å |
| α | 90° |
| β | 110.943 ± 0.002° |
| γ | 90° |
| Cell volume | 1870.4 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0617 |
| Residual factor for significantly intense reflections | 0.0379 |
| Weighted residual factors for significantly intense reflections | 0.0873 |
| Weighted residual factors for all reflections included in the refinement | 0.0952 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| 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. |
4070172.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4070172.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4070172.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070172.cif |
| 40616 | 2012-03-08 | ../uploads/cif-deposit/cod/cif Adding structures of 4070169, 4070170, 4070171, 4070172, 4070173, 4070174, 4070175, 4070176 via cif-deposit CGI script. |
4070172.cif |
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Users of the data should acknowledge the original authors of the
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