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Information card for entry 7242945
Preview
Coordinates | 7242945.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H8 F6 N2 O3 |
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Calculated formula | C17 H8 F6 N2 O3 |
Title of publication | Catalyst- and solvent-free Csp2‒H functionalization of 4-hydroxycoumarins via C-3 dehydrogenative aza-coupling under ball-milling |
Authors of publication | Brahmachari, Goutam; Karmakar, Indrajit; Karmakar, Pintu |
Journal of publication | Green Chemistry |
Year of publication | 2021 |
Journal volume | 23 |
Journal issue | 13 |
Pages of publication | 4762 - 4770 |
a | 31.1491 ± 0.0011 Å |
b | 7.2268 ± 0.0004 Å |
c | 13.9772 ± 0.0007 Å |
α | 90° |
β | 92.13 ± 0.004° |
γ | 90° |
Cell volume | 3144.2 ± 0.3 Å3 |
Cell temperature | 150.01 ± 0.11 K |
Ambient diffraction temperature | 150.01 ± 0.11 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1339 |
Residual factor for significantly intense reflections | 0.1088 |
Weighted residual factors for significantly intense reflections | 0.2891 |
Weighted residual factors for all reflections included in the refinement | 0.3394 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.174 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
268821 (current) | 2021-09-06 | cif/ Updating files of 7242945 Original log message: Adding full bibliography for 7242945.cif. |
7242945.cif |
265605 | 2021-05-29 | cif/ Adding structures of 7242945 via cif-deposit CGI script. |
7242945.cif |
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Users of the data should acknowledge the original authors of the
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