Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7241594
Preview
| Coordinates | 7241594.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H32 Br F N2 O2 |
|---|---|
| Calculated formula | C38 H32 Br F N2 O2 |
| Title of publication | Increasing the structural boundary of quasiracemate formation: 4-substituted naphthylamides |
| Authors of publication | Craddock, Drew E.; Parks, McKenzie J.; Taylor, Lauren A.; Wagner, Benjamin L.; Ruf, Michael; Wheeler, Kraig A. |
| Journal of publication | CrystEngComm |
| Year of publication | 2021 |
| Journal volume | 23 |
| Journal issue | 1 |
| Pages of publication | 210 - 215 |
| a | 9.9188 ± 0.0006 Å |
| b | 10.2275 ± 0.0006 Å |
| c | 15.9392 ± 0.0009 Å |
| α | 102.789 ± 0.002° |
| β | 93.699 ± 0.002° |
| γ | 106.801 ± 0.002° |
| Cell volume | 1495.16 ± 0.15 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0228 |
| Residual factor for significantly intense reflections | 0.0222 |
| Weighted residual factors for significantly intense reflections | 0.0571 |
| Weighted residual factors for all reflections included in the refinement | 0.0576 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 261589 (current) | 2021-02-05 | cif/ Updating files of 7241590, 7241591, 7241592, 7241593, 7241594, 7241595, 7241596 Original log message: Adding full bibliography for 7241590--7241596.cif. |
7241594.cif |
| 259321 | 2020-11-29 | cif/ Adding structures of 7241590, 7241591, 7241592, 7241593, 7241594, 7241595, 7241596 via cif-deposit CGI script. |
7241594.cif |
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.