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Information card for entry 4134680
Preview
Coordinates | 4134680.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H18 Cu F6 N4 O2.5 Ti |
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Calculated formula | C20 H18 Cu F6 N4 O2.5 Ti |
Title of publication | Machine-Learning-Assisted Synthesis of Polar Racemates. |
Authors of publication | Nisbet, Matthew L.; Pendleton, Ian M.; Nolis, Gene M.; Griffith, Kent J.; Schrier, Joshua; Cabana, Jordi; Norquist, Alexander J.; Poeppelmeier, Kenneth R. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2020 |
Journal volume | 142 |
Journal issue | 16 |
Pages of publication | 7555 - 7566 |
a | 20.3754 ± 0.0006 Å |
b | 14.6737 ± 0.0005 Å |
c | 14.8668 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4444.9 ± 0.2 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100.07 K |
Number of distinct elements | 7 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0688 |
Residual factor for significantly intense reflections | 0.0424 |
Weighted residual factors for significantly intense reflections | 0.0902 |
Weighted residual factors for all reflections included in the refinement | 0.1021 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4134680.html
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