Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7129203
Preview
Coordinates | 7129203.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C11 H11 N O |
---|---|
Calculated formula | C11 H11 N O |
Title of publication | Ir(iii)-Catalysed electrooxidative intramolecular dehydrogenative C–H/N–H coupling for the synthesis of N–H indoles |
Authors of publication | Kim, Youyoung; Kim, Dongwook; Chang, Sukbok |
Journal of publication | Chemical Communications |
Year of publication | 2021 |
a | 9.9622 ± 0.0009 Å |
b | 5.7301 ± 0.0004 Å |
c | 15.9848 ± 0.0013 Å |
α | 90° |
β | 106.083 ± 0.003° |
γ | 90° |
Cell volume | 876.77 ± 0.12 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1289 |
Residual factor for significantly intense reflections | 0.1139 |
Weighted residual factors for significantly intense reflections | 0.2674 |
Weighted residual factors for all reflections included in the refinement | 0.2778 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.162 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
270307 (current) | 2021-11-05 | cif/ Adding structures of 7129202, 7129203 via cif-deposit CGI script. |
7129203.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.