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Information card for entry 4113006
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| Coordinates | 4113006.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Pent-4'-enyl-3,6-anhydro-2,4-di-O-benzyl-β-D-glucopyranoside |
|---|---|
| Formula | C25 H30 O5 |
| Calculated formula | C25 H30 O5 |
| Title of publication | Conformational Effects on Glycoside Reactivity: Study of the High Reactive Conformer of Glucose |
| Authors of publication | Ciaran McDonnell; Oscar López; Paul Murphy; José G. Fernández Bolaños; Rita Hazell; Mikael Bols |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2004 |
| Journal volume | 126 |
| Pages of publication | 12374 - 12385 |
| a | 13.295 ± 0.002 Å |
| b | 5.6635 ± 0.0008 Å |
| c | 14.117 ± 0.002 Å |
| α | 90° |
| β | 99.446 ± 0.005° |
| γ | 90° |
| Cell volume | 1048.5 ± 0.3 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 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 significantly intense reflections | 0.044 |
| Weighted residual factors for all reflections included in the refinement | 0.041 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.89 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178901 (current) | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/30. |
4113006.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4113006.cif |
| 65426 | 2012-09-05 | cif/ Adding structures of 4113006 via cif-deposit CGI script. |
4113006.cif |
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Users of the data should acknowledge the original authors of the
structural data.