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Information card for entry 2241375
Preview
Coordinates | 2241375.cif |
---|---|
Structure factors | 2241375.hkl |
Original IUCr paper | HTML |
Chemical name | 3-<i>O</i>-Benzyl-4(<i>R</i>)-<i>C</i>-(1-benzyl-1<i>H</i>-1,2,3-triazol-4-yl)-1,2-<i>O</i>-isopropylidene-α-<i>D</i>-erythrofuranose |
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Formula | C23 H25 N3 O4 |
Calculated formula | C23 H25 N3 O4 |
SMILES | O1[C@H]2[C@@H]([C@@H]([C@H]1c1cn(nn1)Cc1ccccc1)OCc1ccccc1)OC(O2)(C)C |
Title of publication | Crystal structure of 3-<i>O</i>-benzyl-4(<i>R</i>)-<i>C</i>-(1-benzyl-1<i>H</i>-1,2,3-triazol-4-yl)-1,2-<i>O</i>-isopropylidene-α-<small>D</small>-erythrofuranose |
Authors of publication | Semjonovs, Nikita; Rjabovs, Vitalijs; Stepanovs, Dmitrijs; Turks, Maris |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2015 |
Journal volume | 71 |
Journal issue | 12 |
Pages of publication | 1542 - 1544 |
a | 9.5276 ± 0.0002 Å |
b | 10.003 ± 0.0002 Å |
c | 21.9495 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2091.89 ± 0.09 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.1217 |
Residual factor for significantly intense reflections | 0.0534 |
Weighted residual factors for significantly intense reflections | 0.0887 |
Weighted residual factors for all reflections included in the refinement | 0.106 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2241375.html
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