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Information card for entry 7131800
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Coordinates | 7131800.cif |
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Original paper (by DOI) | HTML |
Chemical name | N-[(1-naphthoyl)oxy]-N-ethynyl-N-p-toluenesulfonamide |
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Formula | C20 H15 N O4 S |
Calculated formula | C20 H15 N O4 S |
Title of publication | Synthesis of <i>N</i>-(acyloxy)-<i>N</i>-alkynylamides <i>via</i> generation of "C<sub>2</sub>" from hypervalent alkynyliodane and a weak base. |
Authors of publication | Kagami, Kentaro; Liang, Xueying; Ishibashi, Nanako; Ohrui, Sayaka; Tayu, Masanori; Saito, Nozomi |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2023 |
Journal volume | 59 |
Journal issue | 53 |
Pages of publication | 8274 - 8277 |
a | 15.1494 ± 0.0016 Å |
b | 15.0265 ± 0.0016 Å |
c | 7.6701 ± 0.0008 Å |
α | 90° |
β | 101.096 ± 0.007° |
γ | 90° |
Cell volume | 1713.4 ± 0.3 Å3 |
Cell temperature | 93 K |
Ambient diffraction temperature | 93 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.102 |
Residual factor for significantly intense reflections | 0.0773 |
Weighted residual factors for significantly intense reflections | 0.2045 |
Weighted residual factors for all reflections included in the refinement | 0.2292 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
Diffraction radiation wavelength | 1.54187 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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