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Information card for entry 7160669
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Coordinates | 7160669.cif |
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Original paper (by DOI) | HTML |
Formula | C23 H22 O5 S2 |
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Calculated formula | C23 H22 O5 S2 |
Title of publication | One-pot Synthesis of Sulfonyl Benzotropones |
Authors of publication | Chang, Meng-Yang; Ho, Chin-Huey |
Journal of publication | Organic & Biomolecular Chemistry |
Year of publication | 2025 |
a | 11.1705 ± 0.0003 Å |
b | 12.7063 ± 0.0003 Å |
c | 14.9419 ± 0.0004 Å |
α | 90° |
β | 102.284 ± 0.002° |
γ | 90° |
Cell volume | 2072.23 ± 0.09 Å3 |
Cell temperature | 130 ± 2 K |
Ambient diffraction temperature | 130 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0407 |
Residual factor for significantly intense reflections | 0.037 |
Weighted residual factors for significantly intense reflections | 0.1019 |
Weighted residual factors for all reflections included in the refinement | 0.1047 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
301712 (current) | 2025-08-12 | cif/ Adding structures of 7160667, 7160668, 7160669, 7160670, 7160671, 7160672, 7160673, 7160674 via cif-deposit CGI script. |
7160669.cif |
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Users of the data should acknowledge the original authors of the
structural data.