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Information card for entry 7156769
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Coordinates | 7156769.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H17 N O2 |
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Calculated formula | C17 H17 N O2 |
Title of publication | Transition metal-free functionalized hydration of alkynes: one-pot synthesis of fluorinated β-keto-imidates using Selectfluor. |
Authors of publication | Ghosh, Arnab; Hegde, Rajeev; Makane, Vitthal B.; Sridhar, Balasubramanian; Rode, Haridas B.; Patil, Siddappa A.; Dateer, Ramesh B. |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2019 |
Journal volume | 17 |
Journal issue | 18 |
Pages of publication | 4440 - 4445 |
a | 7.21212 ± 0.00009 Å |
b | 15.4816 ± 0.0002 Å |
c | 26.0416 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2907.68 ± 0.06 Å3 |
Cell temperature | 294 ± 2 K |
Ambient diffraction temperature | 294 ± 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 | 0.1954 |
Residual factor for significantly intense reflections | 0.0757 |
Weighted residual factors for significantly intense reflections | 0.1242 |
Weighted residual factors for all reflections included in the refinement | 0.1564 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
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/7156769.html
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structural data.