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Information card for entry 7218553
Preview
Coordinates | 7218553.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H15 N3 O3 S2 |
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Calculated formula | C16 H15 N3 O3 S |
SMILES | s1c(C(=O)c2nn(nc2c2cc(OC)c(OC)cc2)C)ccc1 |
Title of publication | ZrO2 -supported Cu (ll) - β-cyclodextrin complex: Construction of 2, 4, 5-trisubstituted -1, 2, 3-triazoles via Azide-chalcone oxidative Cycloaddition and Post-Triazole Alkylation |
Authors of publication | Girish, Yarabally R.; Sharath kumar, Kothanahally S; Muddegowda, Umashankar; Lokanath, Neartur Krishnappagowda; Rangappa, Kanchugarakoppal S.; shashikanth, seena |
Journal of publication | RSC Adv. |
Year of publication | 2014 |
a | 7.5729 ± 0.0013 Å |
b | 9.0487 ± 0.0016 Å |
c | 22.692 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1555 ± 0.5 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 K |
Number of distinct elements | 5 |
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 | 0.0912 |
Residual factor for significantly intense reflections | 0.0812 |
Weighted residual factors for significantly intense reflections | 0.2221 |
Weighted residual factors for all reflections included in the refinement | 0.2649 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.311 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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