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Information card for entry 7058039
Preview
Coordinates | 7058039.cif |
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Original paper (by DOI) | HTML |
Formula | C12 H10 O2 S |
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Calculated formula | C12 H10 O2 S |
Title of publication | An efficient heterogeneous copper fluorapatite (CuFAP)-catalysed oxidative synthesis of diaryl sulfone under mild ligand- and base-free conditions |
Authors of publication | Kamble, Rohit B.; Chavan, Santosh S.; Suryavanshi, Gurunath |
Journal of publication | New Journal of Chemistry |
Year of publication | 2019 |
Journal volume | 43 |
Journal issue | 3 |
Pages of publication | 1632 |
a | 11.272 ± 0.005 Å |
b | 7.645 ± 0.006 Å |
c | 12.12 ± 0.008 Å |
α | 90° |
β | 96.36 ± 0.03° |
γ | 90° |
Cell volume | 1038 ± 1.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0475 |
Residual factor for significantly intense reflections | 0.0391 |
Weighted residual factors for significantly intense reflections | 0.0954 |
Weighted residual factors for all reflections included in the refinement | 0.1028 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.115 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
225013 (current) | 2019-11-08 | cif/ Updating files of 7058039 Original log message: Adding full bibliography for 7058039.cif. |
7058039.cif |
212543 | 2018-12-12 | cif/ Adding structures of 7058039 via cif-deposit CGI script. |
7058039.cif |
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Users of the data should acknowledge the original authors of the
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