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Information card for entry 7160175
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Coordinates | 7160175.cif |
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Original paper (by DOI) | HTML |
Formula | C15 H13 N O S |
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Calculated formula | C15 H13 N O S |
Title of publication | MeOTf-catalyzed Friedel-Crafts alkylation of benzoxazolones, benzothiazolones, indolinones and benzimidazolones with activated secondary alcohols. |
Authors of publication | Duari, Surajit; Biswas, Subrata; Roy, Arnab; Maity, Srabani; Elsharif, Asma M.; Biswas, Srijit |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2024 |
Journal volume | 22 |
Journal issue | 44 |
Pages of publication | 8801 - 8810 |
a | 13.3265 ± 0.0016 Å |
b | 6.1652 ± 0.0008 Å |
c | 31.478 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2586.2 ± 0.6 Å3 |
Cell temperature | 180 K |
Ambient diffraction temperature | 180 K |
Number of distinct elements | 5 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.1179 |
Residual factor for significantly intense reflections | 0.0562 |
Weighted residual factors for significantly intense reflections | 0.1283 |
Weighted residual factors for all reflections included in the refinement | 0.1687 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
296661 (current) | 2024-12-06 | cif/ Updating files of 7160174, 7160175 Original log message: Adding full bibliography for 7160174--7160175.cif. |
7160175.cif |
295374 | 2024-10-09 | cif/ Adding structures of 7160174, 7160175 via cif-deposit CGI script. |
7160175.cif |
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Users of the data should acknowledge the original authors of the
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