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Information card for entry 4027961
Preview
Coordinates | 4027961.cif |
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Original paper (by DOI) | HTML |
Formula | C16 H16 O2 S |
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Calculated formula | C16 H16 O2 S |
SMILES | S(c1c(cc(cc1C)C)C)c1c(C(=O)O)cccc1 |
Title of publication | Transition-Metal-Free Synthesis of Unsymmetrical Diaryl Chalcogenides from Arenes and Diaryl Dichalcogenides |
Authors of publication | Ch Durga Prasad; Shah Jaimin Balkrishna; Amit Kumar; Bhagat Singh Bhakuni; Kaustubh Shrimali; Soumava Biswas; Sangit Kumar |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 1434 - 1443 |
a | 7.6506 ± 0.0008 Å |
b | 8.0881 ± 0.0009 Å |
c | 11.7507 ± 0.0013 Å |
α | 83.871 ± 0.006° |
β | 84.899 ± 0.006° |
γ | 73.945 ± 0.006° |
Cell volume | 693.42 ± 0.13 Å3 |
Cell temperature | 130 ± 2 K |
Ambient diffraction temperature | 130 ± 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 | 0.058 |
Residual factor for significantly intense reflections | 0.0487 |
Weighted residual factors for significantly intense reflections | 0.1585 |
Weighted residual factors for all reflections included in the refinement | 0.1754 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.311 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4027961.html
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