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Information card for entry 7237347
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Coordinates | 7237347.cif |
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Original paper (by DOI) | HTML |
Common name | (S,R)-tert-Butyl N-(3-acetamido-1,2-dicarba-closo-dodecaboran-1-yl)acetylvalinate |
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Chemical name | (S,R)-tert-Butyl N-(3-acetamido-1,2-dicarba-closo-dodecaboran-1-yl)acetylvalinate |
Formula | C15 H34 B10 N2 O4 |
Calculated formula | C15 H34 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 | 10.325 ± 0.01 Å |
b | 9.558 ± 0.006 Å |
c | 12.703 ± 0.008 Å |
α | 90° |
β | 90.73 ± 0.07° |
γ | 90° |
Cell volume | 1253.5 ± 1.6 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.1212 |
Residual factor for significantly intense reflections | 0.0592 |
Weighted residual factors for significantly intense reflections | 0.1115 |
Weighted residual factors for all reflections included in the refinement | 0.1196 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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