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Information card for entry 7246507
Preview
| Coordinates | 7246507.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H19 F N2 O |
|---|---|
| Calculated formula | C22 H19 F N2 O |
| Title of publication | Polar and non-polar stacking of perfectly aligned parallel beloamphiphile monolayers (PBAMs) of (PhO, F)-azine. The interplay of non-covalent interlayer interactions and unit cell polarity |
| Authors of publication | Bhoday, Harmeet; Kelley, Steven P.; Glaser, Rainer |
| Journal of publication | CrystEngComm |
| Year of publication | 2023 |
| Journal volume | 25 |
| Journal issue | 15 |
| Pages of publication | 2175 - 2180 |
| a | 6.541 ± 0.0002 Å |
| b | 7.1465 ± 0.0002 Å |
| c | 37.8014 ± 0.001 Å |
| α | 91.082 ± 0.0012° |
| β | 94.097 ± 0.0012° |
| γ | 90.1522 ± 0.0013° |
| Cell volume | 1762.19 ± 0.09 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0651 |
| Residual factor for significantly intense reflections | 0.0579 |
| Weighted residual factors for significantly intense reflections | 0.1607 |
| Weighted residual factors for all reflections included in the refinement | 0.1644 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.197 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283212 (current) | 2023-05-05 | cif/ Updating files of 7246504, 7246505, 7246506, 7246507 Original log message: Adding full bibliography for 7246504--7246507.cif. |
7246507.cif |
| 282081 | 2023-03-28 | cif/ Adding structures of 7246504, 7246505, 7246506, 7246507 via cif-deposit CGI script. |
7246507.cif |
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Users of the data should acknowledge the original authors of the
structural data.