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Information card for entry 4033349
Preview
Coordinates | 4033349.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H26 O7 |
---|---|
Calculated formula | C20 H26 O7 |
SMILES | C12(OCCO1)[C@@H]1[C@](C(=O)C)(C(=O)C=C2)[C@H](CC(=C1C(=O)OC(C)(C)C)O)C.C12(OCCO1)[C@H]1[C@@](C(=O)C)(C(=O)C=C2)[C@@H](CC(=C1C(=O)OC(C)(C)C)O)C |
Title of publication | Mechanistic Studies of the Deslongchamps Annulation. |
Authors of publication | Kreibich, Michael; Petrović, Denis; Brückner, Reinhard |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2018 |
Journal volume | 83 |
Journal issue | 3 |
Pages of publication | 1116 - 1133 |
a | 9.4636 ± 0.0001 Å |
b | 9.3031 ± 0.0001 Å |
c | 12.0391 ± 0.0002 Å |
α | 90° |
β | 112.321 ± 0.001° |
γ | 90° |
Cell volume | 980.51 ± 0.02 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 7 |
Hermann-Mauguin space group symbol | P 1 c 1 |
Hall space group symbol | P -2yc |
Residual factor for all reflections | 0.0487 |
Residual factor for significantly intense reflections | 0.0436 |
Weighted residual factors for significantly intense reflections | 0.1102 |
Weighted residual factors for all reflections included in the refinement | 0.1128 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4033349.html
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Users of the data should acknowledge the original authors of the
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