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Information card for entry 4084665
Preview
| Coordinates | 4084665.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H22 O Ru |
|---|---|
| Calculated formula | C16 H22 O Ru |
| SMILES | [Ru]123456(C#[O])([CH2]=[C]1([C]2(=[CH2]3)C)C)[CH]1=[C]4C[C@@H]2[CH]5=[CH]6C[C@H]1C2.[Ru]123456(C#[O])([CH2]=[C]1([C]2(=[CH2]3)C)C)[CH]1=[C]4C[C@H]2[CH]5=[CH]6C[C@@H]1C2 |
| Title of publication | Regio- and Enantioselective Linear Cross-Dimerizations between Conjugated Dienes and Acrylates Catalyzed by New Ru(0) Complexes |
| Authors of publication | Hiroi, Yuki; Komine, Nobuyuki; Komiya, Sanshiro; Hirano, Masafumi |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 22 |
| Pages of publication | 6604 |
| a | 7.3996 ± 0.0016 Å |
| b | 8.555 ± 0.0019 Å |
| c | 11.976 ± 0.003 Å |
| α | 99.608 ± 0.003° |
| β | 99.6178 ± 0.0016° |
| γ | 108.609 ± 0.003° |
| Cell volume | 688.4 ± 0.3 Å3 |
| Cell temperature | 200 K |
| Ambient diffraction temperature | 200 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 significantly intense reflections | 0.0288 |
| Weighted residual factors for all reflections included in the refinement | 0.0717 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.17 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275193 (current) | 2022-05-07 | cif/4/08/46/ Replaced the '' sequences with backslash symbols ('\') in multiple data values in entries 4084662-4084666. |
4084665.cif |
| 178735 | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/46. |
4084665.cif |
| 131426 | 2015-02-07 | cif/ Updating files of 4084661, 4084662, 4084663, 4084664, 4084665, 4084666 Original log message: Adding full bibliography for 4084661--4084666.cif. |
4084665.cif |
| 126676 | 2014-11-08 | cif/ Adding structures of 4084661, 4084662, 4084663, 4084664, 4084665, 4084666 via cif-deposit CGI script. |
4084665.cif |
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Users of the data should acknowledge the original authors of the
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