Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7131617
Preview
Coordinates | 7131617.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H22 Cl N |
---|---|
Calculated formula | C28 H22 Cl N |
Title of publication | <i>Syn</i>- <i>versus anti</i>-carbopalladation of alkynes with organoborons: access to indoles symmetrically and unsymmetrically substituted on their 2,3-positions. |
Authors of publication | Ghasemi, Mehran; Rahimi, Banafshe; Dehghan, Maryam; Bernoosha, Mohammad Hossein; Jafarpour, Farnaz |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2023 |
Journal volume | 59 |
Journal issue | 45 |
Pages of publication | 6873 - 6876 |
a | 9.2102 ± 0.0018 Å |
b | 20.916 ± 0.004 Å |
c | 11.778 ± 0.002 Å |
α | 90° |
β | 102.6 ± 0.03° |
γ | 90° |
Cell volume | 2214.3 ± 0.8 Å3 |
Cell temperature | 290 K |
Ambient diffraction temperature | 290 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 | 0.0805 |
Residual factor for significantly intense reflections | 0.0675 |
Weighted residual factors for significantly intense reflections | 0.1315 |
Weighted residual factors for all reflections included in the refinement | 0.1385 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.115 |
Diffraction radiation probe | x-ray |
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/7131617.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.