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Information card for entry 4036852
Preview
Coordinates | 4036852.cif |
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Original paper (by DOI) | HTML |
Formula | C24 H16 O S |
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Calculated formula | C24 H16 O S |
SMILES | O=C1c2c(sc(c2c2c1cccc2)c1ccccc1)c1ccc(cc1)C |
Title of publication | Catalytic Sulfur-Enabled Dehydrobicyclization of 1,6-Enynes toward Arylated Indeno[1,2-c]thiophenes. |
Authors of publication | Wu, Ya-Nan; Fu, Rong; Wang, Nan-Nan; Hao, Wen-Juan; Li, Guigen; Tu, Shu-Jiang; Jiang, Bo |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 11 |
Pages of publication | 4762 - 4770 |
a | 7.1916 ± 0.0006 Å |
b | 10.6894 ± 0.0008 Å |
c | 11.9335 ± 0.0009 Å |
α | 74.19 ± 0.001° |
β | 84.968 ± 0.002° |
γ | 89.976 ± 0.002° |
Cell volume | 879 ± 0.12 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 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 | 0.1183 |
Residual factor for significantly intense reflections | 0.0602 |
Weighted residual factors for significantly intense reflections | 0.1002 |
Weighted residual factors for all reflections included in the refinement | 0.1119 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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