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Information card for entry 7159948
Preview
Coordinates | 7159948.cif |
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Original paper (by DOI) | HTML |
Common name | 3,6-Anhydro-2,8-dideoxy-D-glycero-L-gluco-octono-1,4-lactone |
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Chemical name | 3,6-Anhydro-2,8-dideoxy-D-glycero-L-gluco-octono-1,4-lactone |
Formula | C8 H12 O5 |
Calculated formula | C8 H12 O5 |
Title of publication | First total synthesis of asperilactone B. Revision of absolute stereochemistry of asperilactones B and C. |
Authors of publication | Djokić, Sanja; Benedeković, Goran; Kesić, Jelena; Rodić, Marko V; Popsavin, Mirjana; Popsavin, Velimir; Francuz, Jovana |
Journal of publication | Organic & Biomolecular Chemistry |
Year of publication | 2024 |
a | 5.48541 ± 0.00005 Å |
b | 10.62294 ± 0.00008 Å |
c | 15.21442 ± 0.00014 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 886.562 ± 0.013 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 3 |
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 | 0.0317 |
Residual factor for significantly intense reflections | 0.0317 |
Weighted residual factors for significantly intense reflections | 0.0872 |
Weighted residual factors for all reflections included in the refinement | 0.0872 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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