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Information card for entry 4126231
Preview
Coordinates | 4126231.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H31 N O13 |
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Calculated formula | C20 H31 N O13 |
SMILES | O([C@H]1[C@H](NC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H](O1)COC(=O)C)[C@H]([C@@](C(=O)OC)(C)O)OC |
Title of publication | Carbohydrate Bis-acetal-Based Substrates as Tunable Fluorescence-Quenched Probes for Monitoring exo-Glycosidase Activity. |
Authors of publication | Cecioni, Samy; Vocadlo, David J. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2017 |
Journal volume | 139 |
Journal issue | 25 |
Pages of publication | 8392 - 8395 |
a | 9.2809 ± 0.001 Å |
b | 24.198 ± 0.003 Å |
c | 11.1739 ± 0.0007 Å |
α | 90° |
β | 104.854 ± 0.004° |
γ | 90° |
Cell volume | 2425.6 ± 0.4 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.03 |
Residual factor for significantly intense reflections | 0.0287 |
Weighted residual factors for significantly intense reflections | 0.0726 |
Weighted residual factors for all reflections included in the refinement | 0.0736 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
200667 (current) | 2017-09-12 | cif/ Updating files of 4126231, 4126232 Original log message: Adding full bibliography for 4126231--4126232.cif. |
4126231.cif |
198012 | 2017-06-21 | cif/ Adding structures of 4126231, 4126232 via cif-deposit CGI script. |
4126231.cif |
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Users of the data should acknowledge the original authors of the
structural data.