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Information card for entry 7105117
Preview
Coordinates | 7105117.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C66 H60 Cl2 Hg N4 O8 |
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Calculated formula | C66 H60 Cl2 Hg N4 O8 |
SMILES | [Hg](Cl)(Cl)([n]1ccc(cc1)C(=O)Oc1ccc2c(c1)[C@@]1(CC2(C)C)CC(c2c1cc(cc2)OC(=O)c1ccncc1)(C)C)[n]1ccc(cc1)C(=O)Oc1cc2c(cc1)C(C[C@@]12CC(c2c1cc(cc2)OC(=O)c1ccncc1)(C)C)(C)C |
Title of publication | Molecular tectonics: from 1-D interwoven racemic chains to quadruple-stranded helices. |
Authors of publication | Lin, Mei-Jin; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2009 |
Journal volume | 46 |
Journal issue | 1 |
Pages of publication | 115 - 117 |
a | 13.1808 ± 0.0012 Å |
b | 14.0766 ± 0.0012 Å |
c | 17.3666 ± 0.0015 Å |
α | 67.326 ± 0.002° |
β | 89.185 ± 0.002° |
γ | 76.7 ± 0.003° |
Cell volume | 2883.5 ± 0.4 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0888 |
Residual factor for significantly intense reflections | 0.0622 |
Weighted residual factors for significantly intense reflections | 0.1613 |
Weighted residual factors for all reflections included in the refinement | 0.1738 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
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/7105117.html
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Users of the data should acknowledge the original authors of the
structural data.