Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7247787
Preview
Coordinates | 7247787.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H13 F3 N O |
---|---|
Calculated formula | C17 H13 F3 N O |
Title of publication | Metal- and additive-free TfOH catalyzed chemoselective O- and S-trifluoroethylation of oxindoles, isoindolines and thio-oxindoles |
Authors of publication | Lamba, Manisha; Singh, Prasoon Raj; Bhatt, Shubham; Goswami, Avijit |
Journal of publication | Green Chemistry |
Year of publication | 2024 |
Journal volume | 26 |
Journal issue | 1 |
Pages of publication | 448 - 455 |
a | 10.0648 ± 0.0008 Å |
b | 11.6308 ± 0.0008 Å |
c | 13.8611 ± 0.001 Å |
α | 68.976 ± 0.002° |
β | 87.671 ± 0.003° |
γ | 69.921 ± 0.002° |
Cell volume | 1416.21 ± 0.18 Å3 |
Cell temperature | 298 K |
Ambient diffraction temperature | 298 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 | 0.0737 |
Residual factor for significantly intense reflections | 0.0626 |
Weighted residual factors for significantly intense reflections | 0.1794 |
Weighted residual factors for all reflections included in the refinement | 0.1917 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
295543 (current) | 2024-10-18 | cif/7: Fixing Z values and formulae |
7247787.cif |
289565 | 2024-02-04 | cif/ Updating files of 7247784, 7247785, 7247786, 7247787, 7247788, 7247789 Original log message: Adding full bibliography for 7247784--7247789.cif. |
7247787.cif |
287767 | 2023-11-24 | cif/ Adding structures of 7247784, 7247785, 7247786, 7247787, 7247788, 7247789 via cif-deposit CGI script. |
7247787.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.