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Information card for entry 4028128
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Coordinates | 4028128.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 2,7-dibutyl-1,6-dichloronaphtho[1,2-b:5,6-b']dithiophene |
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Formula | C11 H11 Cl S |
Calculated formula | C11 H11 Cl S |
Title of publication | Regioselective Electrophilic Access to Naphtho[1,2-b:8,7-b']- and -[1,2-b:5,6-b']dithiophenes |
Authors of publication | Caterina Viglianisi; Lucia Becucci; Cristina Faggi; Sara Piantini; Piero Procacci; Stefano Menichetti |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 3496 - 3502 |
a | 6.946 ± 0.001 Å |
b | 7.72 ± 0.001 Å |
c | 9.057 ± 0.001 Å |
α | 90.861 ± 0.006° |
β | 89.656 ± 0.006° |
γ | 98.724 ± 0.005° |
Cell volume | 479.99 ± 0.11 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0313 |
Residual factor for significantly intense reflections | 0.0273 |
Weighted residual factors for significantly intense reflections | 0.0716 |
Weighted residual factors for all reflections included in the refinement | 0.0741 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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