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Information card for entry 7105127
Preview
Coordinates | 7105127.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H44 O16 P4 |
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Calculated formula | C36 H44 O16 P4 |
SMILES | c12cc3c4c(c1OP(=O)(C)Oc1c(c5c(cc1C2)Cc1cc2c(c(c1OP(=O)(C)O5)C)OP(=O)(C)Oc1c(c(OP(=O)(C)O4)c(cc1C2)C3)C)C)C.O.O.O.O |
Title of publication | Formation of tetrameric water clusters driven by a cavitand template. |
Authors of publication | Massera, Chiara; Melegari, Monica; Ugozzoli, Franco; Dalcanale, Enrico |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2009 |
Journal volume | 46 |
Journal issue | 1 |
Pages of publication | 88 - 90 |
a | 14.396 ± 0.008 Å |
b | 14.396 ± 0.008 Å |
c | 9.799 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2030.8 ± 1.9 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 85 |
Hermann-Mauguin space group symbol | P 4/n :2 |
Hall space group symbol | -P 4a |
Residual factor for all reflections | 0.1166 |
Residual factor for significantly intense reflections | 0.0481 |
Weighted residual factors for significantly intense reflections | 0.0765 |
Weighted residual factors for all reflections included in the refinement | 0.0846 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
Diffraction radiation wavelength | 0.71069 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/7105127.html
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Users of the data should acknowledge the original authors of the
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