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Information card for entry 7244941
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| Coordinates | 7244941.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | BTDPh |
|---|---|
| Formula | C20 H14 S2 |
| Calculated formula | C20 H14 S2 |
| Title of publication | Systematic arrangement control of functional organic molecules |
| Authors of publication | Akai, Ryota; Oka, Kouki; Nishida, Ryunosuke; Tohnai, Norimitsu |
| Journal of publication | CrystEngComm |
| Year of publication | 2022 |
| a | 5.6878 ± 0.0001 Å |
| b | 7.8658 ± 0.0001 Å |
| c | 16.9636 ± 0.0002 Å |
| α | 86.368 ± 0.001° |
| β | 89.98 ± 0.001° |
| γ | 89.868 ± 0.001° |
| Cell volume | 757.41 ± 0.019 Å3 |
| Cell temperature | 213 K |
| Ambient diffraction temperature | 213 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0615 |
| Residual factor for significantly intense reflections | 0.0594 |
| Weighted residual factors for significantly intense reflections | 0.144 |
| Weighted residual factors for all reflections included in the refinement | 0.1446 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.221 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275421 (current) | 2022-05-14 | cif/ Adding structures of 7244936, 7244937, 7244938, 7244939, 7244940, 7244941 via cif-deposit CGI script. |
7244941.cif |
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Users of the data should acknowledge the original authors of the
structural data.