Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1512069
Preview
| Coordinates | 1512069.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H26 O4 Ru |
|---|---|
| Calculated formula | C19 H26 O4 Ru |
| SMILES | [Ru]12345([O]=C(C)C=C(O1)C)(OC(=CC(=[O]2)C)C)[CH]1=[CH]3[C@H]2C[CH]4=[CH]5[C@@H](C1)C2.[Ru]12345([O]=C(C)C=C(O1)C)(OC(=CC(=[O]2)C)C)[CH]1=[CH]3[C@@H]2C[CH]4=[CH]5[C@H](C1)C2 |
| 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 | 7.8725 ± 0.0017 Å |
| b | 10.123 ± 0.003 Å |
| c | 12.283 ± 0.003 Å |
| α | 85.138 ± 0.009° |
| β | 77.763 ± 0.008° |
| γ | 71.325 ± 0.006° |
| Cell volume | 906.1 ± 0.4 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 | 0.0297 |
| Weighted residual factors for all reflections included in the refinement | 0.0902 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.821 |
| 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. |
1512069.cif |
| 275142 | 2022-05-06 | cif/1/51/20/ Replaced the "Â¥" sequences with backslash symbols ("\") in multiple data values in entry 1512069. |
1512069.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. |
1512069.cif |
| 87206 | 2013-07-14 | cif/ Adding structures of 1512065, 1512066, 1512067, 1512068, 1512069, 1512070, 1512071, 1512072, 1512073 via cif-deposit CGI script. |
1512069.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.