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Information card for entry 7060803
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Coordinates | 7060803.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H28 O4 |
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Calculated formula | C28 H28 O4 |
Title of publication | Synthesis of hydroxymethyl analogues of mannostatin A and their evaluation as inhibitors of GH38 α-mannosidases |
Authors of publication | Kalník, Martin; Zajičková, Mária; Kóňa, Juraj; Šesták, Sergej; Moncoľ, Ján; Koóš, Miroslav; Bella, Maroš |
Journal of publication | New Journal of Chemistry |
Year of publication | 2021 |
Journal volume | 45 |
Journal issue | 30 |
Pages of publication | 13539 - 13548 |
a | 8.7282 ± 0.0002 Å |
b | 8.6664 ± 0.0001 Å |
c | 14.9347 ± 0.0003 Å |
α | 90° |
β | 96.234 ± 0.001° |
γ | 90° |
Cell volume | 1123.01 ± 0.04 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 3 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0253 |
Residual factor for significantly intense reflections | 0.025 |
Weighted residual factors for significantly intense reflections | 0.0627 |
Weighted residual factors for all reflections included in the refinement | 0.0629 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
Diffraction radiation wavelength | 1.54186 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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