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Information card for entry 4035767
Preview
Coordinates | 4035767.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H35 N O8 |
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Calculated formula | C26 H35 N O8 |
SMILES | [C@]12(OC[C@@H]3[C@H]([C@@H]1OC(C)(C)O2)OC(C)(C)O3)[C@@H](C(=O)NC1CCCCC1)OC(=O)c1ccccc1 |
Title of publication | Synthesis of Glycomimetics by Diastereoselective Passerini Reaction. |
Authors of publication | Vlahoviček-Kahlina, Kristina; Vazdar, Mario; Jakas, Andreja; Smrečki, Vilko; Jerić, Ivanka |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2018 |
Journal volume | 83 |
Journal issue | 21 |
Pages of publication | 13146 - 13156 |
a | 10.689 ± 0.005 Å |
b | 11.005 ± 0.005 Å |
c | 22.45 ± 0.01 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2641 ± 2 Å3 |
Cell temperature | 296 ± 1 K |
Ambient diffraction temperature | 296 ± 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 | 0.0699 |
Residual factor for significantly intense reflections | 0.0642 |
Weighted residual factors for significantly intense reflections | 0.1701 |
Weighted residual factors for all reflections included in the refinement | 0.1806 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54179 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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