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Information card for entry 4036722
Preview
Coordinates | 4036722.cif |
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Original paper (by DOI) | HTML |
Formula | C36 H36 Cl2 N4 O4 |
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Calculated formula | C36 H36 Cl2 N4 O4 |
Title of publication | Discrimination of Enantiomers of Dipeptide Derivatives with Two Chiral Centers by Tetraaza Macrocyclic Chiral Solvating Agents Using <sup>1</sup>H NMR Spectroscopy. |
Authors of publication | Fang, Lixia; Lv, Caixia; Wang, Guo; Feng, Lei; Stavropoulos, Pericles; Gao, Guangpeng; Ai, Lin; Zhang, Jiaxin |
Journal of publication | Organic chemistry frontiers : an international journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 3 |
Journal issue | 12 |
Pages of publication | 1716 - 1724 |
a | 37.839 ± 0.004 Å |
b | 25.19 ± 0.002 Å |
c | 13.63 ± 0.0014 Å |
α | 90° |
β | 101.307 ± 0.002° |
γ | 90° |
Cell volume | 12739 ± 2 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 5 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.0858 |
Residual factor for significantly intense reflections | 0.0668 |
Weighted residual factors for significantly intense reflections | 0.1739 |
Weighted residual factors for all reflections included in the refinement | 0.1865 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4036722.html
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