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Information card for entry 7054580
Preview
Coordinates | 7054580.cif |
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Original paper (by DOI) | HTML |
Formula | C48 H60 N4 O12 S4 |
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Calculated formula | C48 H60 N4 O12 S4 |
Title of publication | Chiral anion recognition by a ureido-thiacalix[4]arene ligand immobilized in the 1,3-alternate conformation |
Authors of publication | Mačková, Michaela; Mikšátko, Jiří; Budka, Jan; Eigner, Václav; Cuřínová, Petra; Lhoták, Pavel |
Journal of publication | New J. Chem. |
Year of publication | 2015 |
Journal volume | 39 |
Journal issue | 2 |
Pages of publication | 1382 |
a | 27.261 ± 0.0014 Å |
b | 16.3468 ± 0.0003 Å |
c | 17.9466 ± 0.0009 Å |
α | 90° |
β | 139.366 ± 0.01° |
γ | 90° |
Cell volume | 5208.2 ± 1.1 Å3 |
Cell temperature | 180 K |
Ambient diffraction temperature | 180 K |
Ambient diffracton pressure | 101 kPa |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0766 |
Residual factor for significantly intense reflections | 0.0588 |
Weighted residual factors for all reflections | 0.131 |
Weighted residual factors for significantly intense reflections | 0.1079 |
Weighted residual factors for all reflections included in the refinement | 0.1309 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0005 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/7054580.html
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