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Information card for entry 4085780
Preview
| Coordinates | 4085780.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H40 N2 Y2 |
|---|---|
| Calculated formula | C36 H40 N2 Y2 |
| SMILES | [Y]123456789%10([n]%11c([CH2]1[Y]1%12%13%14%15%16%17%18%19([n]%20c([CH2]%101)cc(cc%20C)C)([cH]1[cH]%15[cH]%14[cH]%13[cH]%121)[cH]1[cH]%19[cH]%18[cH]%17[cH]%161)cc(cc%11C)C)([cH]1[cH]2[cH]3[cH]4[cH]51)[cH]1[cH]9[cH]8[cH]7[cH]61 |
| Title of publication | C‒H Bond Activation by σ-Bond Metathesis as a Versatile Route toward Highly Efficient Initiators for the Catalytic Precision Polymerization of Polar Monomers |
| Authors of publication | Soller, Benedikt S.; Salzinger, Stephan; Jandl, Christian; Pöthig, Alexander; Rieger, Bernhard |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Pages of publication | 150129130938007 |
| a | 11.9223 ± 0.0004 Å |
| b | 22.3436 ± 0.0008 Å |
| c | 12.782 ± 0.0004 Å |
| α | 90° |
| β | 113.273 ± 0.002° |
| γ | 90° |
| Cell volume | 3127.91 ± 0.19 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 4 |
| 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 | 0.0802 |
| Residual factor for significantly intense reflections | 0.0383 |
| Weighted residual factors for significantly intense reflections | 0.0609 |
| Weighted residual factors for all reflections included in the refinement | 0.07 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
4085780.cif |
| 171425 | 2015-12-10 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_systematic tags with empty values from multiple entries. |
4085780.cif |
| 136830 | 2015-05-18 | cif/ Adding structures of 4085780 via cif-deposit CGI script. |
4085780.cif |
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