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Information card for entry 1508775
Preview
Coordinates | 1508775.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H24 N2 O6 |
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Calculated formula | C25 H24 N2 O6 |
SMILES | O=N(=O)c1ccc(cc1)[C@@H]1C(=C(C[C@]21C(=O)N(c1ccccc21)C(=O)OC(C)(C)C)C)C=O |
Title of publication | Assembly of Spirooxindole Derivatives via Organocatalytic Iminium-Enamine Cascade Reactions. |
Authors of publication | Albertshofer, Klaus; Anderson, Kimberly E.; Barbas, 3rd, Carlos F |
Journal of publication | Organic letters |
Year of publication | 2012 |
Journal volume | 14 |
Journal issue | 23 |
Pages of publication | 5968 - 5971 |
a | 9.6599 ± 0.0004 Å |
b | 10.661 ± 0.0004 Å |
c | 21.2315 ± 0.0009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2186.51 ± 0.15 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0249 |
Residual factor for significantly intense reflections | 0.0248 |
Weighted residual factors for significantly intense reflections | 0.069 |
Weighted residual factors for all reflections included in the refinement | 0.0692 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
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/1508775.html
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Users of the data should acknowledge the original authors of the
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