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Information card for entry 4036817
Preview
Coordinates | 4036817.cif |
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Original paper (by DOI) | HTML |
Formula | C26 H22 N2 O3 |
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Calculated formula | C26 H22 N2 O3 |
SMILES | O=c1cc(n2c3c(c4cc(nc1c24)C(=O)OC)cccc3)c1ccc(cc1)C(C)(C)C |
Title of publication | Synthesis of S-(-)-5,6-Dihydrocanthin-4-ones via a Triple Cooperative Catalysis-Mediated Domino Reaction. |
Authors of publication | Dighe, Shashikant U.; Mahar, Rohit; Shukla, Sanjeev K.; Kant, Ruchir; Srivastava, Kumkum; Batra, Sanjay |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 11 |
Pages of publication | 4751 - 4761 |
a | 10.717 ± 0.003 Å |
b | 11.387 ± 0.004 Å |
c | 17.576 ± 0.005 Å |
α | 84.285 ± 0.011° |
β | 76.475 ± 0.001° |
γ | 83.963 ± 0.012° |
Cell volume | 2067.6 ± 1.1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.063 |
Residual factor for significantly intense reflections | 0.0503 |
Weighted residual factors for significantly intense reflections | 0.1277 |
Weighted residual factors for all reflections included in the refinement | 0.1378 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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Users of the data should acknowledge the original authors of the
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