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Information card for entry 8101473
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Coordinates | 8101473.cif |
---|
Formula | C48 H66 O6 P S |
---|---|
Calculated formula | C48 H57 O6 P S |
Title of publication | Crystal structure of [mono-O-(diethoxy)thiophosphonato]tetra-tert- butylcalix[4]arene, C48H66O6PS |
Authors of publication | Selkti, M.; Coleman, A. W.; Routaboul, J.; Kalchenko, V. I.; Tomas, A.; Villain, F.; de Rango, C. |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 1999 |
Journal volume | 214 |
Journal issue | 2 |
Pages of publication | 224 - 226 |
a | 13.563 ± 0.002 Å |
b | 20.834 ± 0.003 Å |
c | 17.156 ± 0.003 Å |
α | 90° |
β | 106.86 ± 0.02° |
γ | 90° |
Cell volume | 4639.4 ± 1.3 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for significantly intense reflections | 0.0693 |
Weighted residual factors for significantly intense reflections | 0.1605 |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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