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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 |
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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 |
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