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Information card for entry 4117307
Preview
Coordinates | 4117307.cif |
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Original paper (by DOI) | HTML |
Formula | C52 H65 Cl N4 O16 S |
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Calculated formula | C52 H65 Cl N4 O17 S |
Title of publication | Total Synthesis of [Ψ[C(=S)NH]Tpg4]Vancomycin Aglycon, [Ψ[C(=NH)NH]Tpg4]Vancomycin Aglycon, and Related Key Compounds: Reengineering Vancomycin for Dual d-Ala-d-Ala and d-Ala-d-Lac Binding |
Authors of publication | Jian Xie; Akinori Okano; Joshua G. Pierce; Robert C. James; Simon Stamm; Christine M. Crane; Dale L. Boger |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2012 |
Journal volume | 134 |
Pages of publication | 1284 - 1297 |
a | 14.745 ± 0.003 Å |
b | 13.978 ± 0.003 Å |
c | 27.529 ± 0.006 Å |
α | 90° |
β | 95.71 ± 0.03° |
γ | 90° |
Cell volume | 5646 ± 2 Å3 |
Cell temperature | 148 ± 2 K |
Ambient diffraction temperature | 148 ± 2 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.1059 |
Residual factor for significantly intense reflections | 0.0853 |
Weighted residual factors for significantly intense reflections | 0.213 |
Weighted residual factors for all reflections included in the refinement | 0.2284 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.11 |
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/4117307.html
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