Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4109094
Preview
| Coordinates | 4109094.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H42 O P Rh Si |
|---|---|
| Calculated formula | C25 H42 O P Rh Si |
| Title of publication | Scope and Mechanism of the Intermolecular Addition of Aromatic Aldehydes to Olefins Catalyzed by Rh(I) Olefin Complexes |
| Authors of publication | Amy H. Roy; Christian P. Lenges; Maurice Brookhart |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Pages of publication | 2082 - 2093 |
| a | 17.5945 ± 0.0008 Å |
| b | 8.6401 ± 0.0004 Å |
| c | 17.4677 ± 0.0008 Å |
| α | 90° |
| β | 94.092 ± 0.001° |
| γ | 90° |
| Cell volume | 2648.6 ± 0.2 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.021 |
| Residual factor for significantly intense reflections | 0.017 |
| Weighted residual factors for all reflections | 0.022 |
| Weighted residual factors for significantly intense reflections | 0.022 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.33 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MolybdenumKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4109094.cif |
| 132129 | 2015-02-20 | cod/ (robertas@burundukas) Changed 'Insert the chemical name here' placeholders into '?': codsql 'select file, chemname from data where chemname like "%name%here%" ' -NB \ | awk '{print $1}' \ | codid2file \ | xargs perl -0777 -i -pe \ 's/ \b (?i:_chemical_name_systematic) \b \K (?: \s (?!\n) )* \n ; \s* ( \? \s* .Insert\ the\ chemical\ name\ here\. | insert\ name\ here | name\ here | Insert\ the\ systematic\ name\ here | systematic\ name\ to\ be\ included\ here ) \s+ (?<= \n ) ; (?= \n ) / ?/ixms' |
4109094.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4109094.cif |
| 57846 | 2012-05-22 | cif/ Adding structures of 4109094 via cif-deposit CGI script. |
4109094.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.