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Information card for entry 7128060
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Coordinates | 7128060.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H15 N O S2 |
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Calculated formula | C17 H15 N O S2 |
Title of publication | Copper-catalyzed domino synthesis of multi-substituted benzo[b]thiophene through radical cyclization using xanthate as a sulfur surrogate. |
Authors of publication | Sundaravelu, Nallappan; Singha, Tushar; Nandy, Anuradha; Sekar, Govindasamy |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2021 |
Journal volume | 57 |
Journal issue | 37 |
Pages of publication | 4512 - 4515 |
a | 9.137 ± 0.0003 Å |
b | 9.3396 ± 0.0004 Å |
c | 9.341 ± 0.0003 Å |
α | 105.238 ± 0.0017° |
β | 102.339 ± 0.0017° |
γ | 91.2454 ± 0.0018° |
Cell volume | 748.76 ± 0.05 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0391 |
Residual factor for significantly intense reflections | 0.0328 |
Weighted residual factors for significantly intense reflections | 0.0841 |
Weighted residual factors for all reflections included in the refinement | 0.0914 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7128060.html
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structural data.