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Information card for entry 1516882
Preview
Coordinates | 1516882.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H13 I O2 |
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Calculated formula | C14 H13 I O2 |
SMILES | c1(ccc(cc1)COc1ccccc1OC)I |
Title of publication | Radioiodinated Benzyloxybenzene Derivatives: A Class of Flexible Ligands Target to β-Amyloid Plaques in Alzheimer's Brains. |
Authors of publication | Yang, Yanping; Cui, Mengchao; Zhang, Xiaoyang; Dai, Jiapei; Zhang, Zhiyong; Lin, Chunping; Guo, Yuzhi; Liu, Boli |
Journal of publication | Journal of medicinal chemistry |
Year of publication | 2014 |
Journal volume | 57 |
Journal issue | 14 |
Pages of publication | 6030 - 6042 |
a | 7.8201 ± 0.0006 Å |
b | 15.7081 ± 0.0011 Å |
c | 21.1791 ± 0.0015 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2601.6 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.02 |
Residual factor for significantly intense reflections | 0.0171 |
Weighted residual factors for significantly intense reflections | 0.0396 |
Weighted residual factors for all reflections included in the refinement | 0.0408 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
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/1516882.html
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