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Information card for entry 4105775
Preview
Coordinates | 4105775.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H24 O |
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Calculated formula | C17 H24 O |
SMILES | O[C@@]1(C(=C([C@]1(C(C)C)C)CC)c1ccccc1)C.O[C@]1(C(=C([C@@]1(C(C)C)C)CC)c1ccccc1)C |
Title of publication | A Straightforward Synthesis of Cyclobutenones via a Tandem Michael Addition/Cyclization Reaction of 2,3-Allenoates with Organozincs |
Authors of publication | Guobi Chai; Shangze Wu; Chunling Fu; Shengming Ma |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 3740 - 3743 |
a | 12.285 ± 0.0008 Å |
b | 16.5578 ± 0.001 Å |
c | 16.7837 ± 0.0008 Å |
α | 74.767 ± 0.005° |
β | 71.089 ± 0.005° |
γ | 70.386 ± 0.006° |
Cell volume | 2996.6 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1135 |
Residual factor for significantly intense reflections | 0.0717 |
Weighted residual factors for significantly intense reflections | 0.2006 |
Weighted residual factors for all reflections included in the refinement | 0.2317 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4105775.html
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