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Information card for entry 4107518
Preview
| Coordinates | 4107518.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C15 H12 O2 |
|---|---|
| Calculated formula | C15 H12 O2 |
| SMILES | O(C(=C\c1ccccc1)\C#C)C1=CC(=O)CC1 |
| Title of publication | Ruthenium-Catalyzed Vinylic Substitution Reactions with Nucleophiles via Butatrienylidene Intermediates |
| Authors of publication | Yoshihiro Yamauchi; Masahiro Yuki; Yoshiaki Tanabe; Yoshihiro Miyake; Youichi Inada; Sakae Uemura; Yoshiaki Nishibayashi |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2008 |
| Journal volume | 130 |
| Pages of publication | 2908 - 2909 |
| a | 13.9616 ± 0.0004 Å |
| b | 5.5553 ± 0.0002 Å |
| c | 15.2886 ± 0.0005 Å |
| α | 90° |
| β | 92.1092 ± 0.0014° |
| γ | 90° |
| Cell volume | 1184.99 ± 0.07 Å3 |
| Cell temperature | 173.1 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.0369 |
| Weighted residual factors for all reflections included in the refinement | 0.0622 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201982 (current) | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4107518.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4107518.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4107518.cif |
| 55204 | 2012-05-04 | cif/ Adding structures of 4107518 via cif-deposit CGI script. |
4107518.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
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.
Users of the data should acknowledge the original authors of the
structural data.