Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4088691
Preview
| Coordinates | 4088691.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H46 Au O P |
|---|---|
| Calculated formula | C39 H46 Au O P |
| Title of publication | Effect of Substitution, Ring Size, and Counterion on the Intermediates Generated in the Gold-Catalyzed Intramolecular Hydroalkoxylation of Allenes |
| Authors of publication | Brooner, Rachel E. M.; Brown, Timothy J.; Chee, Mark A.; Widenhoefer, Ross A. |
| Journal of publication | Organometallics |
| Year of publication | 2016 |
| Journal volume | 35 |
| Journal issue | 11 |
| Pages of publication | 2014 |
| a | 10.509 ± 0.0006 Å |
| b | 12.2859 ± 0.0006 Å |
| c | 13.7859 ± 0.0007 Å |
| α | 78.988 ± 0.002° |
| β | 78.948 ± 0.003° |
| γ | 69.197 ± 0.002° |
| Cell volume | 1618.31 ± 0.15 Å3 |
| Cell temperature | 110 K |
| Ambient diffraction temperature | 110 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0417 |
| Residual factor for significantly intense reflections | 0.0332 |
| Weighted residual factors for significantly intense reflections | 0.0644 |
| Weighted residual factors for all reflections included in the refinement | 0.0665 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237769 (current) | 2019-11-24 | cif/ Adding structures of 4088691 via cif-deposit CGI script. |
4088691.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.