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Information card for entry 7130982
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Coordinates | 7130982.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | '4,4'-(2,4-bis(4-cyanobenzoyl)thieno[3,4-b]thiophene-3,6-diyl)dibenzonitrile deuterated chloroform solvate' |
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Formula | C37 H16 Cl3 D N4 O2 S2 |
Calculated formula | C37 H17 Cl3 N4 O2 S2 |
Title of publication | Direct access to thieno[3,4-b]thiophenes via elemental sulfur-promoted sulfurative tetramerization of acetophenones |
Authors of publication | Nguyen, Thanh Binh; Retailleau, Pascal |
Journal of publication | Chemical Communications |
Year of publication | 2022 |
a | 11.4125 ± 0.0009 Å |
b | 12.1675 ± 0.0008 Å |
c | 12.9619 ± 0.001 Å |
α | 77.294 ± 0.006° |
β | 83.42 ± 0.007° |
γ | 74.234 ± 0.006° |
Cell volume | 1686.9 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1254 |
Residual factor for significantly intense reflections | 0.0753 |
Weighted residual factors for significantly intense reflections | 0.1754 |
Weighted residual factors for all reflections included in the refinement | 0.2196 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.11 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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