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Information card for entry 4033065
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Coordinates | 4033065.cif |
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Original paper (by DOI) | HTML |
Chemical name | (Z)-ethyl 3-((methoxycarbonyl)amino)-4-methyl-2-(3-(4-nitrophenyl)- 5-oxoisoxazol-4(5H)-ylidene)-2,3-dihydrothiazole-5-carboxylate compound with methanol (1:1) |
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Formula | C19 H20 N4 O9 S |
Calculated formula | C19 H20 N4 O9 S |
Title of publication | Divergent Approach to Thiazolylidene Derivatives: A Perspective on the Synthesis of a Heterocyclic Skeleton from β-Amidothioamides Reactivity. |
Authors of publication | Santeusanio, Stefania; Majer, Roberta; Perrulli, Francesca Romana; De Crescentini, Lucia; Favi, Gianfranco; Giorgi, Gianluca; Mantellini, Fabio |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 18 |
Pages of publication | 9773 - 9778 |
a | 8.1826 ± 0.0003 Å |
b | 11.3714 ± 0.0006 Å |
c | 12.6284 ± 0.0007 Å |
α | 73.609 ± 0.005° |
β | 85.465 ± 0.004° |
γ | 89.729 ± 0.004° |
Cell volume | 1123.57 ± 0.1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0708 |
Residual factor for significantly intense reflections | 0.043 |
Weighted residual factors for significantly intense reflections | 0.1074 |
Weighted residual factors for all reflections included in the refinement | 0.1146 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.957 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4033065.html
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