Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2010508
Preview
Coordinates | 2010508.cif |
---|---|
Original IUCr paper | HTML |
Common name | 9-phenyl-1,2,3,4,4a,9a-hexahydrotriptycene |
---|---|
Chemical name | cis-9-Phenyl-1,2,3,4,4a,9,9a,10-octahydro-9,10[1',2']benzenoanthracene |
Formula | C26 H24 |
Calculated formula | C26 H24 |
SMILES | c1cccc2c1C1(c3ccccc3C2[C@H]2[C@@H]1CCCC2)c1ccccc1.c1cccc2c1C1(c3ccccc3C2[C@@H]2[C@H]1CCCC2)c1ccccc1 |
Title of publication | 9-Phenyl-3,4,4a,9a-tetrahydrotriptycene and 9-phenyl-1,2,3,4,4a,9a-hexahydrotriptycene |
Authors of publication | Duan, Shaoming; Baker, Ronald J.; Masnovi, John |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2000 |
Journal volume | 56 |
Journal issue | 1 |
Pages of publication | 99 - 101 |
a | 9.2213 ± 0.0006 Å |
b | 9.8777 ± 0.001 Å |
c | 10.739 ± 0.0008 Å |
α | 90.738 ± 0.008° |
β | 107.829 ± 0.006° |
γ | 104.052 ± 0.007° |
Cell volume | 899.28 ± 0.14 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 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 | 0.042 |
Residual factor for significantly intense reflections | 0.041 |
Weighted residual factors for all reflections | 0.044 |
Weighted residual factors for all reflections included in the refinement | 0.044 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.94 |
Diffraction radiation wavelength | 0.7093 Å |
Diffraction radiation type | MolybdenumKα |
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/2010508.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.