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Information card for entry 7237351
Preview
| Coordinates | 7237351.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (S,S)-tert-Butyl N-(3-formamido-1,2-dicarba-closo-dodecaboran-1-yl)acetylphenylalaninate |
|---|---|
| Formula | C18 H32 B10 N2 O4 |
| Calculated formula | C18 H32 B10 N2 O4 |
| Title of publication | Piezoactive amino acid derivatives containing fragments of planar-chiral ortho-carboranes |
| Authors of publication | Gruzdev, Dmitry A.; Nuraeva, Alla S.; Slepukhin, Pavel A.; Levit, Galina L.; Zelenovskiy, Pavel S.; Shur, Vladimir Ya.; Krasnov, Victor P. |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2018 |
| Journal volume | 6 |
| Journal issue | 32 |
| Pages of publication | 8638 |
| a | 7.376 ± 0.003 Å |
| b | 11.388 ± 0.003 Å |
| c | 31.773 ± 0.017 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2668.9 ± 1.9 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 18 |
| Hermann-Mauguin space group symbol | P 2 21 21 |
| Hall space group symbol | P 2bc 2 |
| Residual factor for all reflections | 0.0895 |
| Residual factor for significantly intense reflections | 0.0396 |
| Weighted residual factors for significantly intense reflections | 0.0734 |
| Weighted residual factors for all reflections included in the refinement | 0.0775 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0372 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237620 (current) | 2019-11-24 | cif/ Adding structures of 7237347, 7237348, 7237349, 7237350, 7237351, 7237352, 7237353, 7237354 via cif-deposit CGI script. |
7237351.cif |
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Users of the data should acknowledge the original authors of the
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