Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1503387
Preview
Coordinates | 1503387.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H21 N O4 |
---|---|
Calculated formula | C19 H21 N O4 |
SMILES | n12c(C[C@H]3C(C(=O)OC)(C(=O)OC)CC[C@@H]3C2)cc2c1cccc2.n12c(C[C@@H]3C(C(=O)OC)(C(=O)OC)CC[C@H]3C2)cc2c1cccc2 |
Title of publication | Electron transfer photoredox catalysis: intramolecular radical addition to indoles and pyrroles. |
Authors of publication | Tucker, Joseph W.; Narayanam, Jagan M. R.; Krabbe, Scott W.; Stephenson, Corey R. J. |
Journal of publication | Organic letters |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 2 |
Pages of publication | 368 - 371 |
a | 11.495 ± 0.005 Å |
b | 15.474 ± 0.007 Å |
c | 9.384 ± 0.004 Å |
α | 90° |
β | 99.403 ± 0.006° |
γ | 90° |
Cell volume | 1646.7 ± 1.2 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 373 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0889 |
Residual factor for significantly intense reflections | 0.0594 |
Weighted residual factors for significantly intense reflections | 0.1738 |
Weighted residual factors for all reflections included in the refinement | 0.1947 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1503387.html
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.