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Information card for entry 7134754
Preview
Coordinates | 7134754.cif |
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Original paper (by DOI) | HTML |
Formula | C2.88 H1.88 Br0.25 O0.62 |
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Calculated formula | C2.875 H1.875 Br0.25 O0.625 |
Title of publication | Mn(III)-Catalysed Domino Process for C-3 Substituted Dihydrocoumarins from 2-hydroxybenzyl Alcohols and 4-hydroxy-2H-chromen-2-ones |
Authors of publication | Londhe, Gokul S.; Mondal, Shankhajit; Gnanaprakasam, Boopathy |
Journal of publication | Chemical Communications |
Year of publication | 2025 |
a | 4.725 ± 0.008 Å |
b | 13.22 ± 0.05 Å |
c | 17.69 ± 0.06 Å |
α | 112.5 ± 0.3° |
β | 92.17 ± 0.17° |
γ | 89.8 ± 0.18° |
Cell volume | 1020 ± 6 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0911 |
Residual factor for significantly intense reflections | 0.0656 |
Weighted residual factors for significantly intense reflections | 0.1735 |
Weighted residual factors for all reflections included in the refinement | 0.1918 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.155 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
300161 (current) | 2025-06-24 | cif/ Adding structures of 7134754 via cif-deposit CGI script. |
7134754.cif |
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