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Information card for entry 7062808
Preview
Coordinates | 7062808.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C43 H50 O9 |
---|---|
Calculated formula | C43 H50 O9 |
Title of publication | Selective separation of 2,5-dimethylfuran and 2,5-dimethyltetrahydrofuran using nonporous adaptive crystals of a hybrid[3]arene |
Authors of publication | Liu, Yang; Wu, Yitao |
Journal of publication | New Journal of Chemistry |
Year of publication | 2023 |
Journal volume | 47 |
Journal issue | 42 |
Pages of publication | 19746 - 19750 |
a | 10.804 ± 0.0003 Å |
b | 13.0735 ± 0.0003 Å |
c | 15.6468 ± 0.0004 Å |
α | 109.235 ± 0.001° |
β | 97.967 ± 0.002° |
γ | 107.316 ± 0.001° |
Cell volume | 1922.21 ± 0.09 Å3 |
Cell temperature | 170 ± 2 K |
Ambient diffraction temperature | 169.99 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1151 |
Residual factor for significantly intense reflections | 0.0807 |
Weighted residual factors for significantly intense reflections | 0.2057 |
Weighted residual factors for all reflections included in the refinement | 0.2377 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.34139 Å |
Diffraction radiation type | GaKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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structural data.