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Information card for entry 1568416
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Coordinates | 1568416.cif |
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Original paper (by DOI) | HTML |
Chemical name | 1-(3,5-bis(trifluoromethyl)benzyl)-6,7-dimethoxyisochromane |
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Formula | C20 H18 F6 O3 |
Calculated formula | C20 H18 F6 O3 |
Title of publication | Synthesis of functionalised isochromans: epoxides as aldehyde surrogates in hexafluoroisopropanol |
Authors of publication | Muller, Cyprien; Horký, Filip; Vayer, Marie; Golushko, Andrei; Lebœuf, David; Moran, Joseph |
Journal of publication | Chemical Science |
Year of publication | 2023 |
Journal volume | 14 |
Journal issue | 11 |
Pages of publication | 2983 - 2989 |
a | 8.6103 ± 0.0007 Å |
b | 7.9713 ± 0.0005 Å |
c | 27.483 ± 0.002 Å |
α | 90° |
β | 91.244 ± 0.003° |
γ | 90° |
Cell volume | 1885.9 ± 0.2 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0511 |
Residual factor for significantly intense reflections | 0.0441 |
Weighted residual factors for significantly intense reflections | 0.115 |
Weighted residual factors for all reflections included in the refinement | 0.1214 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
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/1568416.html
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