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Information card for entry 4067627
Preview
| Coordinates | 4067627.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H38 B F3 N9 O4 P S W |
|---|---|
| Calculated formula | C29 H38 B F3 N9 O4 P S W |
| SMILES | [W]123([P](C)(C)C)([n]4n(ccc4)[BH](n4[n]1ccc4)n1[n]2ccc1)(N=O)[CH]1C(=[N+](C)C)CCC([CH]3=1)c1c[nH]c2ccccc12.S(=O)(=O)([O-])C(F)(F)F |
| Title of publication | Single and Double Electrophilic Addition Reactions to the Aniline Ring Promoted by a Tungsten π-Base |
| Authors of publication | Salomon, Rebecca J.; Todd, Michael A.; Sabat, Michal; Myers, William H.; Harman, W. Dean |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 4 |
| Pages of publication | 707 |
| a | 18.5656 ± 0.0003 Å |
| b | 15.6461 ± 0.0003 Å |
| c | 14.586 ± 0.0003 Å |
| α | 90° |
| β | 126.103 ± 0.003° |
| γ | 90° |
| Cell volume | 3423.27 ± 0.17 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0196 |
| Residual factor for significantly intense reflections | 0.0188 |
| Weighted residual factors for significantly intense reflections | 0.0526 |
| Weighted residual factors for all reflections included in the refinement | 0.0538 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178567 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/76. |
4067627.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4067627.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4067627.cif |
| 34251 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4067626, 4067627 via cif-deposit CGI script. |
4067627.cif |
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Users of the data should acknowledge the original authors of the
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