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Information card for entry 4037494
Preview
Coordinates | 4037494.cif |
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Original paper (by DOI) | HTML |
Formula | C26 H19 N3 O3 |
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Calculated formula | C26 H19 N3 O3 |
SMILES | O(C(=O)c1ccc2n(c3c4c(cccc4NC(=O)c4ncccc4)ccc3)ccc2c1)C |
Title of publication | Copper(II)-Mediated Chelation-Assisted Regioselective N-Naphthylation of Indoles, Pyrazoles and Pyrrole through Dehydrogenative Cross-Coupling. |
Authors of publication | Pradhan, Sourav; De, Pinaki Bhusan; Punniyamurthy, Tharmalingam |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 9 |
Pages of publication | 4883 - 4890 |
a | 8.8838 ± 0.0006 Å |
b | 8.9296 ± 0.0011 Å |
c | 13.3506 ± 0.0008 Å |
α | 97.838 ± 0.007° |
β | 98.644 ± 0.005° |
γ | 91.067 ± 0.008° |
Cell volume | 1036.45 ± 0.16 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 | 0.0491 |
Weighted residual factors for significantly intense reflections | 0.1001 |
Weighted residual factors for all reflections included in the refinement | 0.1076 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4037494.html
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