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Information card for entry 4114423
Preview
Coordinates | 4114423.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H18 O3 |
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Calculated formula | C12 H18 O3 |
SMILES | O1C[C@H]2C(=O)CCC[C@@H]3O[C@@H]3C[C@@H]2CC1.O1C[C@@H]2C(=O)CCC[C@H]3O[C@H]3C[C@H]2CC1 |
Title of publication | Ring-Opening Metathesis/Oxy-Cope Rearrangement: A New Strategy for the Synthesis of Bicyclic Medium Ring-Containing Compounds |
Authors of publication | Brian H. White; Marc L. Snapper |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2003 |
Journal volume | 125 |
Pages of publication | 14901 - 14904 |
a | 24.461 ± 0.003 Å |
b | 5.3473 ± 0.0007 Å |
c | 17.869 ± 0.003 Å |
α | 90° |
β | 110.651 ± 0.003° |
γ | 90° |
Cell volume | 2187.1 ± 0.5 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1093 |
Residual factor for significantly intense reflections | 0.0717 |
Weighted residual factors for significantly intense reflections | 0.144 |
Weighted residual factors for all reflections included in the refinement | 0.1616 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.948 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4114423.html
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