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Information card for entry 1558724
Preview
Coordinates | 1558724.cif |
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Structure factors | 1558724.hkl |
Original IUCr paper | HTML |
Chemical name | 3-(2,2-Dioxo-3,4-dihydrobenzo[<i>e</i>][1,2,3]oxathiazin-4-yl)-3-fluoro-1-phenylindolin-2-one |
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Formula | C21 H15 F N2 O4 S |
Calculated formula | C21 H15 F N2 O4 S |
Title of publication | 3-(2,2-Dioxo-3,4-dihydrobenzo[<i>e</i>][1,2,3]oxathiazin-4-yl)-3-fluoro-1-phenylindolin-2-one |
Authors of publication | Wu, Mei-Fang; Chen, Ling-Yan; Li, Ya |
Journal of publication | IUCrData |
Year of publication | 2020 |
Journal volume | 5 |
Journal issue | 7 |
Pages of publication | x201028 |
a | 9.8726 ± 0.0004 Å |
b | 15.8054 ± 0.0007 Å |
c | 11.8345 ± 0.0004 Å |
α | 90° |
β | 94.679 ± 0.001° |
γ | 90° |
Cell volume | 1840.51 ± 0.13 Å3 |
Cell temperature | 292 ± 2 K |
Ambient diffraction temperature | 292 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0711 |
Residual factor for significantly intense reflections | 0.0439 |
Weighted residual factors for significantly intense reflections | 0.0928 |
Weighted residual factors for all reflections included in the refinement | 0.1098 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | Yes |
Revision | Date | Message | Files |
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254734 (current) | 2020-08-01 | cif/ hkl/ Adding structures of 1558724 via cif-deposit CGI script. |
1558724.cif 1558724.hkl |
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Users of the data should acknowledge the original authors of the
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