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Information card for entry 4035027
Preview
Coordinates | 4035027.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C11 H11 I2 N O |
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Calculated formula | C11 H11 I2 N O |
SMILES | IC1(I)CCN(Cc2ccccc2)C1=O |
Title of publication | PIDA/I<sub>2</sub>-Mediated α- and β-C(sp<sup>3</sup>)-H Bond Dual Functionalization of Tertiary Amines. |
Authors of publication | Zhu, Yu; Shao, Li-Dong; Deng, Zhen-Tao; Bao, Ying; Shi, Xin; Zhao, Qin-Shi |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2018 |
Journal volume | 83 |
Journal issue | 17 |
Pages of publication | 10166 - 10174 |
a | 6.0555 ± 0.0005 Å |
b | 10.5535 ± 0.0009 Å |
c | 19.4333 ± 0.0016 Å |
α | 90° |
β | 98.716 ± 0.001° |
γ | 90° |
Cell volume | 1227.58 ± 0.18 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0392 |
Residual factor for significantly intense reflections | 0.0369 |
Weighted residual factors for significantly intense reflections | 0.1106 |
Weighted residual factors for all reflections included in the refinement | 0.1122 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
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/4035027.html
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