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Information card for entry 1555110
Preview
Coordinates | 1555110.cif |
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Original paper (by DOI) | HTML |
Formula | C26 H20 O3 S |
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Calculated formula | C26 H20 O3 S |
Title of publication | A formal [4 + 2] cycloaddition of sulfur-containing alkylidene heterocycles with allenic compounds |
Authors of publication | Dočekal, Vojtěch; Formánek, Bedřich; Císařová, Ivana; Veselý, Jan |
Journal of publication | Organic Chemistry Frontiers |
Year of publication | 2019 |
Journal volume | 6 |
Journal issue | 18 |
Pages of publication | 3259 |
a | 7.9759 ± 0.0004 Å |
b | 16.1628 ± 0.0008 Å |
c | 31.7213 ± 0.0015 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4089.3 ± 0.3 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 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 | 0.0458 |
Residual factor for significantly intense reflections | 0.0383 |
Weighted residual factors for significantly intense reflections | 0.0854 |
Weighted residual factors for all reflections included in the refinement | 0.089 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
238326 (current) | 2019-11-24 | cif/ Adding structures of 1555110, 1555111 via cif-deposit CGI script. |
1555110.cif |
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Users of the data should acknowledge the original authors of the
structural data.