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Information card for entry 7052074
Preview
Coordinates | 7052074.cif |
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Original paper (by DOI) | HTML |
Chemical name | 1,3-Dihydro-1,3-dihydroxy-4-bromo-2,1-benzoxaborole monohydrate |
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Formula | C7 H8 B Br O4 |
Calculated formula | C7 H6 B Br O4 |
Title of publication | A tautomeric equilibrium between functionalized 2-formylphenylboronic acids and corresponding 1,3-dihydro-1,3-dihydroxybenzo[c][2,1]oxaboroles |
Authors of publication | Sergiusz Luliński; Izabela Madura; Janusz Serwatowski; Halina Szatyłowicz; Janusz Zachara |
Journal of publication | New Journal of Chemistry |
Year of publication | 2007 |
Journal volume | 31 |
Journal issue | 1 |
Pages of publication | 144 |
a | 11.159 ± 0.003 Å |
b | 11.116 ± 0.002 Å |
c | 29.383 ± 0.007 Å |
α | 90° |
β | 94.473 ± 0.018° |
γ | 90° |
Cell volume | 3633.7 ± 1.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0809 |
Residual factor for significantly intense reflections | 0.0593 |
Weighted residual factors for significantly intense reflections | 0.1481 |
Weighted residual factors for all reflections included in the refinement | 0.1617 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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