Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7204499
Preview
Coordinates | 7204499.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H34 O4 |
---|---|
Calculated formula | C40 H34 O4 |
Title of publication | Synthesis of highly hindered oxepins and an azepine from bis-trityl carbenium ions: structural characterisation by NMR and X-ray crystallography |
Authors of publication | Carey, Kieran A.; Clegg, William; Elsegood, Mark R. J.; Golding, Bernard T.; Stuart Hill, M. N.; Maskill, Howard |
Journal of publication | Journal of the Chemical Society, Perkin Transactions 1 |
Year of publication | 2002 |
Journal issue | 23 |
Pages of publication | 2673 |
a | 13.017 ± 0.003 Å |
b | 16.298 ± 0.006 Å |
c | 15.554 ± 0.004 Å |
α | 90° |
β | 110.699 ± 0.018° |
γ | 90° |
Cell volume | 3086.8 ± 1.6 Å3 |
Cell temperature | 160 ± 2 K |
Ambient diffraction temperature | 160 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1856 |
Residual factor for significantly intense reflections | 0.084 |
Weighted residual factors for significantly intense reflections | 0.206 |
Weighted residual factors for all reflections included in the refinement | 0.2787 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7204499.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.