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Information card for entry 4104157
Preview
Coordinates | 4104157.cif |
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Original paper (by DOI) | HTML |
Common name | 1,6-Anhydro-2-iodo-4-O-benzyl-2-deoxy-β-D-glucopyranose |
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Formula | C13 H15 I O4 |
Calculated formula | C13 H15 I O4 |
SMILES | I[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](OCc2ccccc2)[C@@H]1O |
Title of publication | Total Synthesis of N-Acetylglucosamine-1,6-anhydro-N-acetylmuramylpentapeptide and Evaluation of Its Turnover by AmpD from Escherichia coli |
Authors of publication | Dusan Hesek; Mijoon Lee; Weilie Zhang; Bruce C. Noll; Shahriar Mobashery |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2009 |
Journal volume | 131 |
Pages of publication | 5187 - 5193 |
a | 6.1718 ± 0.0004 Å |
b | 7.5275 ± 0.0005 Å |
c | 13.9663 ± 0.0006 Å |
α | 91.577 ± 0.001° |
β | 92.433 ± 0.005° |
γ | 91.599 ± 0.005° |
Cell volume | 647.74 ± 0.07 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.016 |
Residual factor for significantly intense reflections | 0.016 |
Weighted residual factors for significantly intense reflections | 0.0584 |
Weighted residual factors for all reflections included in the refinement | 0.0584 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.303 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4104157.html
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Users of the data should acknowledge the original authors of the
structural data.