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Information card for entry 7052278
Preview
Coordinates | 7052278.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H30 O8 W |
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Calculated formula | C32 H30 O8 W |
SMILES | [W]123(Oc4c5cccc4Cc4c(O3)c(Cc3c(O2)c(Cc2c(O1)c(C5)ccc2)ccc3)ccc4)(=O)[OH2].O=C(OCC)C |
Title of publication | Organic guests inclusion by tungsten-calix[4]arene hosts |
Authors of publication | Arduini, Arturo; Massera, Chiara; Pochini, Andrea; Secchi, Andrea; Ugozzoli, Franco |
Journal of publication | New Journal of Chemistry |
Year of publication | 2006 |
Journal volume | 30 |
Journal issue | 6 |
Pages of publication | 952 |
a | 11.302 ± 0.005 Å |
b | 14.802 ± 0.005 Å |
c | 17.226 ± 0.005 Å |
α | 90° |
β | 91.05 ± 0.005° |
γ | 90° |
Cell volume | 2881.3 ± 1.8 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0664 |
Residual factor for significantly intense reflections | 0.0303 |
Weighted residual factors for significantly intense reflections | 0.0643 |
Weighted residual factors for all reflections included in the refinement | 0.0689 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.843 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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