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Information card for entry 2006402
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Coordinates | 2006402.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | (1RS,3SR,4RS,5RS,7SR,9SR)-4,7-diacetyl-9-hydroxy-1,3,5,9-tetramethyl -2,6,8-trioxatricyclo[3.2.1.1^3,7^]nonane |
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Formula | C14 H20 O6 |
Calculated formula | C14 H20 O6 |
SMILES | CC(=O)[C@@H]1[C@]2(C)O[C@@]3([C@@]([C@@]1(C)O[C@@]3(O2)C)(C)O)C(=O)C.CC(=O)[C@H]1[C@@]2(C)O[C@]3([C@]([C@]1(C)O[C@]3(O2)C)(C)O)C(=O)C |
Title of publication | (1<i>RS</i>,3<i>SR</i>,4<i>RS</i>,5<i>RS</i>,7<i>SR</i>,9<i>SR</i>)-4,7-Diacetyl-9-hydroxy-1,3,5,9-tetramethyl-2,6,8-trioxatricyclo[3.2.1.1^3,7^]nonane: a Tricyclic System Formed Under Cathodic Conditions |
Authors of publication | Raabe, Gerhard; Hall, Sydney R.; .; Thomas, Hans Günter; .; Wellen, Ulrich; .; Simons, Josef; . |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1997 |
Journal volume | 53 |
Journal issue | 8 |
Pages of publication | 1107 - 1111 |
a | 8.676 ± 0.001 Å |
b | 44.948 ± 0.002 Å |
c | 22.143 ± 0.002 Å |
α | 90° |
β | 99.369 ± 0.005° |
γ | 90° |
Cell volume | 8519.9 ± 1.3 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 K |
Number of distinct elements | 3 |
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 | 0.105 |
Residual factor for significantly intense reflections | 0.059 |
Weighted residual factors for all reflections | 0.074 |
Weighted residual factors for significantly intense reflections | 0.067 |
Goodness-of-fit parameter for all reflections | 1.986 |
Goodness-of-fit parameter for significantly intense reflections | 2.529 |
Diffraction radiation wavelength | 1.54179 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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