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Information card for entry 4031722
Preview
Coordinates | 4031722.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H13 N S |
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Calculated formula | C18 H13 N S |
SMILES | c12ccccc1c1cc(c3cccc(c3)C)ncc1s2 |
Title of publication | Tandem Approach to Benzothieno- and Benzofuropyridines from o-Alkynyl Aldehydes via Silver-Catalyzed 6-endo-dig Ring Closure. |
Authors of publication | Kumar, Sonu; Cruz-Hernández, Carlos; Pal, Shilpi; Saunthwal, Rakesh K.; Patel, Monika; Tiwari, Rakesh K.; Juaristi, Eusebio; Verma, Akhilesh K. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2015 |
a | 14.661 ± 0.003 Å |
b | 8.186 ± 0.0012 Å |
c | 12.112 ± 0.002 Å |
α | 90° |
β | 108.7 ± 0.02° |
γ | 90° |
Cell volume | 1376.9 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
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 | 0.104 |
Residual factor for significantly intense reflections | 0.0669 |
Weighted residual factors for significantly intense reflections | 0.1522 |
Weighted residual factors for all reflections included in the refinement | 0.1757 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
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/4031722.html
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