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Information card for entry 7159664
Preview
Coordinates | 7159664.cif |
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Original paper (by DOI) | HTML |
Chemical name | 2-hydroxy-4-methylbenzo[e][1,2]oxaphosphinine 2-oxide |
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Formula | C14 H10 Cl O3 P |
Calculated formula | C14 H10 Cl O3 P |
Title of publication | Divergent synthesis of benzoxaphospholenes and phosphacoumarins via the reaction of 2-alkenylphenols with phosphorus(iii/v) chlorides |
Authors of publication | Tatarinov, Dmitry A.; Mikulenkova, Elina A.; Litvinov, Igor A.; Khayarov, Khasan R.; Mironov, Vladimir F. |
Journal of publication | Organic & Biomolecular Chemistry |
Year of publication | 2024 |
Journal volume | 22 |
Journal issue | 8 |
Pages of publication | 1629 - 1633 |
a | 4.5378 ± 0.0003 Å |
b | 10.6153 ± 0.0007 Å |
c | 13.1018 ± 0.0009 Å |
α | 90° |
β | 91.716 ± 0.003° |
γ | 90° |
Cell volume | 630.83 ± 0.07 Å3 |
Cell temperature | 164 ± 2 K |
Ambient diffraction temperature | 164 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0281 |
Residual factor for significantly intense reflections | 0.0278 |
Weighted residual factors for significantly intense reflections | 0.0711 |
Weighted residual factors for all reflections included in the refinement | 0.0712 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.138 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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