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Information card for entry 4107331
Preview
| Coordinates | 4107331.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H36 N2 O5 S Si |
|---|---|
| Calculated formula | C28 H36 N2 O5 S Si |
| SMILES | S(=O)(=O)(N1C=C[C@H]2[C@@H](c3ccccc3)C=C(O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]12)c1ccc(N(=O)=O)cc1.S(=O)(=O)(N1C=C[C@@H]2[C@H](c3ccccc3)C=C(O[Si](C(C)C)(C(C)C)C(C)C)[C@H]12)c1ccc(N(=O)=O)cc1 |
| Title of publication | Efficient Control of π-Alkyne and Vinylidene Complex Pathways for the W(CO)5(L)-Catalyzed Synthesis of Two Types of Nitrogen-Containing Bicyclic Compounds |
| Authors of publication | Yuji Onizawa; Hiroyuki Kusama; Nobuharu Iwasawa |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2008 |
| Journal volume | 130 |
| Pages of publication | 802 - 803 |
| a | 10.51 ± 0.011 Å |
| b | 25.71 ± 0.03 Å |
| c | 11.552 ± 0.017 Å |
| α | 90° |
| β | 114.11 ± 0.05° |
| γ | 90° |
| Cell volume | 2849 ± 6 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0576 |
| Residual factor for significantly intense reflections | 0.0485 |
| Weighted residual factors for significantly intense reflections | 0.1644 |
| Weighted residual factors for all reflections included in the refinement | 0.1731 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.327 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301832 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
4107331.cif |
| 178819 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/73. |
4107331.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4107331.cif |
| 54996 | 2012-05-02 | cif/ Adding structures of 4107331 via cif-deposit CGI script. |
4107331.cif |
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