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Information card for entry 4036951
Preview
Coordinates | 4036951.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H27 N O4 |
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Calculated formula | C22 H27 N O4 |
SMILES | O1C(C)(C)CC(=O)[C@@H]2[C@@]31C(=O)N(c1c(C(C)(C)C)cccc1)C(=O)[C@]3(C2)C.O1C(C)(C)CC(=O)[C@H]2[C@]31C(=O)N(c1c(C(C)(C)C)cccc1)C(=O)[C@@]3(C2)C |
Title of publication | Metal-Free Visible Light-Mediated Photocatalysis: Controlling Intramolecular [2 + 2] Photocycloaddition of Enones through Axial Chirality. |
Authors of publication | Clay, Anthony; Vallavoju, Nandini; Krishnan, Retheesh; Ugrinov, Angel; Sivaguru, Jayaraman |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 16 |
Pages of publication | 7191 - 7200 |
a | 14.827 ± 0.0014 Å |
b | 10.2711 ± 0.0009 Å |
c | 14.4324 ± 0.0013 Å |
α | 90° |
β | 115.034 ± 0.004° |
γ | 90° |
Cell volume | 1991.4 ± 0.3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296.15 K |
Number of distinct elements | 4 |
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 | 0.0671 |
Residual factor for significantly intense reflections | 0.0513 |
Weighted residual factors for significantly intense reflections | 0.1591 |
Weighted residual factors for all reflections included in the refinement | 0.1827 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.165 |
Diffraction radiation wavelength | 1.54178 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/4036951.html
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