Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4116375
Preview
Coordinates | 4116375.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Phenyltercubyl |
---|---|
Formula | C30 H24 |
Calculated formula | C30 H24 |
SMILES | C12(C3C4C5(C3C1C5C24)C12C3C4C5(C3C1C5C24)C12C3C4C5C3C1C5C24)c1ccccc1 |
Title of publication | Building with Cubane-1,4-diyl. Synthesis of Aryl-Substituted Cubanes, p-[n]Cubyls, and Cubane-Separated Bis(arenes)1 |
Authors of publication | Eaton, Philip E.; Pramod, Kakumanu; Emrick, Todd; Gilardi, Richard |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 1999 |
Journal volume | 121 |
Journal issue | 17 |
Pages of publication | 4111 - 4123 |
a | 10.258 ± 0.002 Å |
b | 6.067 ± 0.0015 Å |
c | 62.852 ± 0.017 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3911.6 ± 1.6 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 2 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.1793 |
Residual factor for significantly intense reflections | 0.09 |
Weighted residual factors for all reflections | 0.3269 |
Weighted residual factors for significantly intense reflections | 0.2133 |
Goodness-of-fit parameter for all reflections | 1.05 |
Goodness-of-fit parameter for significantly intense reflections | 1.229 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/4116375.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.