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Information card for entry 1504249
Preview
Coordinates | 1504249.cif |
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Original paper (by DOI) | HTML |
Formula | C30 H27 Cl2 Cu N9 O8 |
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Calculated formula | C30 H27 Cl2 Cu N9 O8 |
SMILES | [Cu]12([n]3nc(cn3Cc3cccc[n]13)c1ccccc1)([n]1nc(cn1Cc1cccc[n]21)c1ccccc1)[N]#CC.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-] |
Title of publication | Apparent copper(II)-accelerated azide-alkyne cycloaddition. |
Authors of publication | Brotherton, Wendy S.; Michaels, Heather A.; Simmons, J. Tyler; Clark, Ronald J.; Dalal, Naresh S.; Zhu, Lei |
Journal of publication | Organic letters |
Year of publication | 2009 |
Journal volume | 11 |
Journal issue | 21 |
Pages of publication | 4954 - 4957 |
a | 11.422 ± 0.003 Å |
b | 16.075 ± 0.004 Å |
c | 17.832 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3274.1 ± 1.5 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0283 |
Residual factor for significantly intense reflections | 0.0259 |
Weighted residual factors for significantly intense reflections | 0.0581 |
Weighted residual factors for all reflections included in the refinement | 0.0591 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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