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Information card for entry 4113005
Preview
| Coordinates | 4113005.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Methyl-3,6-anhydro-2,4-di-O-benzyl-α-D-glucopyranoside |
|---|---|
| Formula | C21 H24 O5 |
| Calculated formula | C21 H24 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 | 39.105 ± 0.008 Å |
| b | 5.615 ± 0.001 Å |
| c | 16.609 ± 0.003 Å |
| α | 90° |
| β | 97.007 ± 0.005° |
| γ | 90° |
| Cell volume | 3619.7 ± 1.2 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 3 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for significantly intense reflections | 0.035 |
| Weighted residual factors for all reflections included in the refinement | 0.036 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.92 |
| 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. |
4113005.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4113005.cif |
| 65425 | 2012-09-05 | cif/ Adding structures of 4113005 via cif-deposit CGI script. |
4113005.cif |
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Users of the data should acknowledge the original authors of the
structural data.