Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1505626
Preview
Coordinates | 1505626.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | N-Diethylboranyl-1-methyl-pipecolanilide |
---|---|
Formula | C17 H27 B N2 O |
Calculated formula | C17 H27 B N2 O |
Title of publication | Radical fixation of functionalized carbon resources: alpha-sp3C-H carbamoylation of tertiary amines with aryl isocyanates. |
Authors of publication | Yoshimitsu, Takehiko; Matsuda, Kenichi; Nagaoka, Hiroto; Tsukamoto, Koji; Tanaka, Tetsuaki |
Journal of publication | Organic letters |
Year of publication | 2007 |
Journal volume | 9 |
Journal issue | 24 |
Pages of publication | 5115 - 5118 |
a | 7.9482 ± 0.0001 Å |
b | 14.7857 ± 0.0003 Å |
c | 15.3689 ± 0.0003 Å |
α | 111.074 ± 0.001° |
β | 102.263 ± 0.001° |
γ | 90.336 ± 0.001° |
Cell volume | 1640.18 ± 0.05 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 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 | 0.0932 |
Residual factor for significantly intense reflections | 0.0498 |
Weighted residual factors for significantly intense reflections | 0.1347 |
Weighted residual factors for all reflections included in the refinement | 0.1996 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
Diffraction radiation wavelength | 1.54187 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1505626.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.