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Information card for entry 4032340
Preview
Coordinates | 4032340.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H12 O2 S |
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Calculated formula | C14 H12 O2 S |
SMILES | c1(c2COC(=O)c2c(c2ccccc2)s1)CC |
Title of publication | Rhodium-Catalyzed Intramolecular Transannulation Reaction of Alkynyl Thiadiazole Enabled 5,n-Fused Thiophenes. |
Authors of publication | Kim, Ji Eun; Lee, Jinsub; Yun, Hyunsik; Baek, Yonghyeon; Lee, Phil Ho |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 3 |
Pages of publication | 1437 - 1447 |
a | 7.598 ± 0.005 Å |
b | 12.832 ± 0.009 Å |
c | 13.345 ± 0.009 Å |
α | 74.526 ± 0.007° |
β | 76.45 ± 0.007° |
γ | 82.005 ± 0.007° |
Cell volume | 1215 ± 1.4 Å3 |
Cell temperature | 170 ± 2 K |
Ambient diffraction temperature | 170 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0757 |
Residual factor for significantly intense reflections | 0.0429 |
Weighted residual factors for significantly intense reflections | 0.0906 |
Weighted residual factors for all reflections included in the refinement | 0.1018 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
Diffraction radiation wavelength | 0.71073 Å |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4032340.html
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