Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7243566
Preview
Coordinates | 7243566.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | α,α-Bis(p-chlorophenyl)-9,10-dihydro-9,10-ethanoanthracene-11-methanol |
---|---|
Formula | C37 H32 Cl2 O |
Calculated formula | C37 H32 Cl2 O |
Title of publication | Selectivity behaviour of two roof-shaped host compounds in the presence of xylene and ethylbenzene guest mixtures |
Authors of publication | Barton, Benita; Barnardo, Brandon; Hosten, Eric C. |
Journal of publication | CrystEngComm |
Year of publication | 2021 |
Journal volume | 23 |
Journal issue | 41 |
Pages of publication | 7278 - 7288 |
a | 9.76 ± 0.004 Å |
b | 10.85 ± 0.004 Å |
c | 15.146 ± 0.005 Å |
α | 98.37 ± 0.017° |
β | 96.251 ± 0.017° |
γ | 103.375 ± 0.017° |
Cell volume | 1526.8 ± 1 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0839 |
Residual factor for significantly intense reflections | 0.0527 |
Weighted residual factors for significantly intense reflections | 0.1425 |
Weighted residual factors for all reflections included in the refinement | 0.161 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/7243566.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.