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Information card for entry 1512071
Preview
| Coordinates | 1512071.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H28 O4 Ru |
|---|---|
| Calculated formula | C20 H28 O4 Ru |
| SMILES | [Ru]12345([O]=C(C)C=C(O1)C)(OC(=CC(=[O]2)C)C)[C]1(=[CH]3C[C@@H]2[CH]4=[CH]5C[C@H]1C2)C |
| Title of publication | Asymmetric Cross-Dimerization between Methyl Methacrylate and Substituted Alkene by Ru(0)–Bicyclononadiene Complex |
| Authors of publication | Hiroi, Yuki; Komine, Nobuyuki; Komiya, Sanshiro; Hirano, Masafumi |
| Journal of publication | Organic Letters |
| Year of publication | 2013 |
| Journal volume | 15 |
| Journal issue | 10 |
| Pages of publication | 2486 |
| a | 16.6226 ± 0.0013 Å |
| b | 8.1062 ± 0.0004 Å |
| c | 21.4226 ± 0.0012 Å |
| α | 90° |
| β | 92.615 ± 0.004° |
| γ | 90° |
| Cell volume | 2883.6 ± 0.3 Å3 |
| Cell temperature | 200 K |
| Ambient diffraction temperature | 200 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for significantly intense reflections | 0.0375 |
| Weighted residual factors for all reflections included in the refinement | 0.1016 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.874 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1512071.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1512071.cif |
| 87206 | 2013-07-14 | cif/ Adding structures of 1512065, 1512066, 1512067, 1512068, 1512069, 1512070, 1512071, 1512072, 1512073 via cif-deposit CGI script. |
1512071.cif |
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Users of the data should acknowledge the original authors of the
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