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Information card for entry 1506788
Preview
Coordinates | 1506788.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H28 O3 |
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Calculated formula | C20 H28 O3 |
SMILES | O=C1[C@@]23[C@H]4OC([C@H]3C[C@H]3[C@@H]([C@@H]2CC[C@H]1CC4)C(=O)CCC3)(C)C.O=C1[C@]23[C@@H]4OC([C@@H]3C[C@@H]3[C@H]([C@H]2CC[C@@H]1CC4)C(=O)CCC3)(C)C |
Title of publication | Synthesis of highly functionalized bicyclo[m.n.1]alkanones via a cationic reaction cascade. |
Authors of publication | Lavigne, Roch M. A.; Riou, Maxime; Girardin, Mélina; Morency, Louis; Barriault, Louis |
Journal of publication | Organic letters |
Year of publication | 2005 |
Journal volume | 7 |
Journal issue | 26 |
Pages of publication | 5921 - 5923 |
a | 11.07 ± 0.005 Å |
b | 18.754 ± 0.009 Å |
c | 8.287 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1720.4 ± 1.4 Å3 |
Cell temperature | 207 ± 2 K |
Ambient diffraction temperature | 207 ± 2 K |
Number of distinct elements | 3 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0869 |
Residual factor for significantly intense reflections | 0.0544 |
Weighted residual factors for significantly intense reflections | 0.0935 |
Weighted residual factors for all reflections included in the refinement | 0.1032 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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