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Information card for entry 4036878
Preview
Coordinates | 4036878.cif |
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Original paper (by DOI) | HTML |
Formula | C111.3 H139.9 N8 O58.5 S4.65 |
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Calculated formula | C111.3 H139.9 N8 O58.5 S4.65 |
Title of publication | Exploring the Chiral Recognition of Carboxylates by C2-Symmetric Receptors Bearing Glucosamine Pendant Arms. |
Authors of publication | Lichosyt, Dawid; Wasiłek, Sylwia; Jurczak, Janusz |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 17 |
Pages of publication | 7342 - 7348 |
a | 11.3435 ± 0.0003 Å |
b | 15.0588 ± 0.0005 Å |
c | 20.0689 ± 0.0006 Å |
α | 105.66 ± 0.001° |
β | 100.493 ± 0.001° |
γ | 99.598 ± 0.001° |
Cell volume | 3160.2 ± 0.17 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.0432 |
Residual factor for significantly intense reflections | 0.0417 |
Weighted residual factors for significantly intense reflections | 0.1099 |
Weighted residual factors for all reflections included in the refinement | 0.1114 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4036878.html
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Users of the data should acknowledge the original authors of the
structural data.