Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7133011
Preview
Coordinates | 7133011.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C58 H41 N3 |
---|---|
Calculated formula | C58 H41 N3 |
Title of publication | Cyano disubstituted tetrabenzoindeno[2,1-<i>a</i>]fluorene: open-shell or closed-shell? |
Authors of publication | Sharma, Priyank Kumar; Jana, Palash; Bandyopadhyay, Subhajit; Das, Soumyajit |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2024 |
Journal volume | 60 |
Journal issue | 57 |
Pages of publication | 7319 - 7322 |
a | 12.7061 ± 0.0005 Å |
b | 14.0855 ± 0.0004 Å |
c | 23.6488 ± 0.001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4232.5 ± 0.3 Å3 |
Cell temperature | 298 K |
Ambient diffraction temperature | 298 K |
Number of distinct elements | 3 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0447 |
Residual factor for significantly intense reflections | 0.0384 |
Weighted residual factors for significantly intense reflections | 0.0921 |
Weighted residual factors for all reflections included in the refinement | 0.0961 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
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/7133011.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.