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Information card for entry 7229592
Preview
Coordinates | 7229592.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C45 H38 S2 |
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Calculated formula | C45 H38 S2 |
SMILES | C1(c2c(c3c(ccc4ccccc34)s2)c2c1sc1c2c2c(cc1)cccc2)(c1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(C)(C)C |
Title of publication | Synthesis and properties of [7]helicene and [7]helicene-like compounds with a cyclopenta[1,2-b:4,3-b']dithiophene or dithieno[2,3-b:3',2'-d]heterole skeleton. |
Authors of publication | Uematsu, K.; Noguchi, K.; Nakano, K. |
Journal of publication | Physical chemistry chemical physics : PCCP |
Year of publication | 2018 |
Journal volume | 20 |
Journal issue | 5 |
Pages of publication | 3286 - 3295 |
a | 22.8514 ± 0.0004 Å |
b | 12.0435 ± 0.0002 Å |
c | 13.7823 ± 0.0003 Å |
α | 90° |
β | 115.769 ± 0.001° |
γ | 90° |
Cell volume | 3415.84 ± 0.11 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 3 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0415 |
Residual factor for significantly intense reflections | 0.0388 |
Weighted residual factors for significantly intense reflections | 0.1075 |
Weighted residual factors for all reflections included in the refinement | 0.1098 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
Diffraction radiation wavelength | 1.54187 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7229592.html
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