Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4350139
Preview
Coordinates | 4350139.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H23 Fe O4 P |
---|---|
Calculated formula | C27 H23 Fe O4 P |
SMILES | [Fe]([P]1(c2c(c3cc(C)cc(C)c3)cccc2c2cc(C)cc(C)c12)C)(C#[O])(C#[O])(C#[O])C#[O] |
Title of publication | Facile synthesis of unsymmetrical 9-phospha- and 9-arsafluorenes. |
Authors of publication | Diaz, Armando A.; Young, Jackie D.; Khan, Masood A.; Wehmschulte, Rudolf J. |
Journal of publication | Inorganic chemistry |
Year of publication | 2006 |
Journal volume | 45 |
Journal issue | 14 |
Pages of publication | 5568 - 5575 |
a | 7.7148 ± 0.0003 Å |
b | 10.8237 ± 0.0005 Å |
c | 14.6848 ± 0.0006 Å |
α | 80.107 ± 0.001° |
β | 81.855 ± 0.001° |
γ | 77.302 ± 0.001° |
Cell volume | 1171.53 ± 0.09 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 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 | 0.029 |
Residual factor for significantly intense reflections | 0.0284 |
Weighted residual factors for significantly intense reflections | 0.0777 |
Weighted residual factors for all reflections included in the refinement | 0.0781 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
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/4350139.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.