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Information card for entry 7063302
Preview
Coordinates | 7063302.cif |
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Original paper (by DOI) | HTML |
Formula | C15 H16 N2 O2 |
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Calculated formula | C15 H16 N2 O2 |
Title of publication | The short route to chalcogenurea-substituted 3a,6-epoxyisoindoles via an intramolecular Diels–Alder furan (IMDAF) reaction. Antibacterial and antifungal activity |
Authors of publication | Mertsalov, Dmitriy F.; Shchevnikov, Dmitriy M.; Lovtsevich, Lala V.; Novikov, Roman A.; Khrustalev, Victor N.; Grigoriev, Mikhail S.; Romanycheva, Anna A.; Shetnev, Anton A.; Bychkova, Olga P.; Trenin, Alexey S.; Zaytsev, Vladimir P. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2024 |
Journal volume | 48 |
Journal issue | 29 |
Pages of publication | 12947 - 12959 |
a | 8.8352 ± 0.0008 Å |
b | 23.42 ± 0.002 Å |
c | 5.8137 ± 0.0005 Å |
α | 90° |
β | 94.834 ± 0.001° |
γ | 90° |
Cell volume | 1198.69 ± 0.18 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0603 |
Residual factor for significantly intense reflections | 0.0578 |
Weighted residual factors for significantly intense reflections | 0.145 |
Weighted residual factors for all reflections included in the refinement | 0.1471 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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