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Information card for entry 7153280
Preview
Coordinates | 7153280.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H22 O3 |
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Calculated formula | C16 H22 O3 |
SMILES | O=C1CC[C@@]23[C@H]4OC(O[C@H]4[C@@H](C=C2)C([C@@H]13)(C)C)(C)C |
Title of publication | Chemoenzymatic and enantiodivergent routes to 1,2-ring-fused bicyclo[2.2.2]octane and related tricyclic frameworks. |
Authors of publication | Austin, Kerrie A. B.; Elsworth, Jon D.; Banwell, Martin G.; Willis, Anthony C. |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2010 |
Journal volume | 8 |
Journal issue | 4 |
Pages of publication | 751 - 754 |
a | 6.3467 ± 0.0002 Å |
b | 21.7077 ± 0.0006 Å |
c | 10.3198 ± 0.0003 Å |
α | 90° |
β | 90.9585 ± 0.0016° |
γ | 90° |
Cell volume | 1421.58 ± 0.07 Å3 |
Cell temperature | 200 K |
Ambient diffraction temperature | 200 K |
Number of distinct elements | 3 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0384 |
Residual factor for significantly intense reflections | 0.0279 |
Weighted residual factors for all reflections | 0.0358 |
Weighted residual factors for significantly intense reflections | 0.0308 |
Weighted residual factors for all reflections included in the refinement | 0.0308 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.1875 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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