Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7037459
Preview
Coordinates | 7037459.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H24 |
---|---|
Calculated formula | C36 H24 |
SMILES | C1(c2c(c3c1c1c(c4c3cccc4)cccc1)c1c(c3c2cccc3)cccc1)Cc1ccccc1 |
Title of publication | Remarkable stability of tetrabenzo[a,c,g,i]fluorenyl ammonium salts in water: syntheses, reactions, and crystal structures. |
Authors of publication | Frey, Okko N.; Stalling, Timo; Schlüter, Florian; Saak, Wolfgang; Schmidtmann, Marc; Haase, Detlev; Beckhaus, Rüdiger |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 3 |
Pages of publication | 1085 - 1092 |
a | 10.059 ± 0.0003 Å |
b | 11.4457 ± 0.0003 Å |
c | 11.6474 ± 0.0003 Å |
α | 107.847 ± 0.002° |
β | 111.646 ± 0.002° |
γ | 92.073 ± 0.002° |
Cell volume | 1169.45 ± 0.06 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 2 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1207 |
Residual factor for significantly intense reflections | 0.0506 |
Weighted residual factors for significantly intense reflections | 0.1069 |
Weighted residual factors for all reflections included in the refinement | 0.1332 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.99 |
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/7037459.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.