Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4514812
Preview
Coordinates | 4514812.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H29 N O2 |
---|---|
Calculated formula | C21 H29 N O2 |
SMILES | [C@@H]1(c2ccccc2C=C[C@H]1C1CCCCC1)NC(=O)OC(C)(C)C |
Title of publication | Oxa- and Azabenzonorbornadienes as Electrophilic Partners under Photoredox/Nickel Dual Catalysis |
Authors of publication | Luo, Youran; Gutiérrez-Bonet, Álvaro; Matsui, Jennifer K.; Rotella, Madeline E.; Dykstra, Ryan; Gutierrez, Osvaldo; Molander, Gary A. |
Journal of publication | ACS Catalysis |
Year of publication | 2019 |
Journal volume | 9 |
Journal issue | 9 |
Pages of publication | 8835 |
a | 5.5974 ± 0.0005 Å |
b | 16.9126 ± 0.0019 Å |
c | 19.3211 ± 0.0017 Å |
α | 90° |
β | 90.056 ± 0.007° |
γ | 90° |
Cell volume | 1829.1 ± 0.3 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0921 |
Residual factor for significantly intense reflections | 0.0544 |
Weighted residual factors for significantly intense reflections | 0.1143 |
Weighted residual factors for all reflections included in the refinement | 0.1299 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.939 |
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/4514812.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.