Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7121178
Preview
Coordinates | 7121178.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | JMG274V3 |
---|---|
Formula | C25 H25 In N2 |
Calculated formula | C25 H25 In N2 |
SMILES | [In]([n]1ccc(cc1)N(C)C)(c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | Synthesis of bench-stable solid triorganoindium reagents and reactivity in palladium-catalyzed cross-coupling reactions. |
Authors of publication | Gil-Negrete, José M; Pérez Sestelo, José; Sarandeses, Luis A. |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2018 |
Journal volume | 54 |
Journal issue | 12 |
Pages of publication | 1453 - 1456 |
a | 12.3494 ± 0.0007 Å |
b | 12.6121 ± 0.0007 Å |
c | 13.8333 ± 0.0008 Å |
α | 90° |
β | 98.628 ± 0.003° |
γ | 90° |
Cell volume | 2130.2 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.043 |
Residual factor for significantly intense reflections | 0.0294 |
Weighted residual factors for significantly intense reflections | 0.0552 |
Weighted residual factors for all reflections included in the refinement | 0.059 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
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 |
---|---|---|---|
228604 (current) | 2019-11-17 | cif/ Updating files of 7121178 Original log message: Adding full bibliography for 7121178.cif. |
7121178.cif |
205475 | 2018-01-23 | cif/ Adding structures of 7121178 via cif-deposit CGI script. |
7121178.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.