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Information card for entry 7112966
Preview
Coordinates | 7112966.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C13 H19 I O |
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Calculated formula | C13 H19 I O |
Title of publication | Synthesis and structural analysis of a novel iodinated cyclopentadienone via ring-contraction iodination and its application in synthesis of alkyne-functionalized cyclopentadienones. |
Authors of publication | Chen, Xue-Yi; Barnes, Charles; Bai, Xinyan; Sandreczki, T. C.; Peng, Zhonghua; Kadnikova, Ekaterina N.; Dias, J. R. |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2010 |
Journal volume | 46 |
Journal issue | 43 |
Pages of publication | 8171 - 8173 |
a | 18.0985 ± 0.0017 Å |
b | 8.0587 ± 0.0007 Å |
c | 9.1236 ± 0.0008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1330.7 ± 0.2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 62 |
Hermann-Mauguin space group symbol | P n m a |
Hall space group symbol | -P 2ac 2n |
Residual factor for all reflections | 0.0156 |
Residual factor for significantly intense reflections | 0.0151 |
Weighted residual factors for significantly intense reflections | 0.0378 |
Weighted residual factors for all reflections included in the refinement | 0.0381 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
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/7112966.html
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Users of the data should acknowledge the original authors of the
structural data.