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Information card for entry 4105086
Preview
| Coordinates | 4105086.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C17 H26 B N O2 |
|---|---|
| Calculated formula | C17 H26 B N O2 |
| SMILES | O1[B]2(OC(C1(C)C)(C)C)[N](Cc1c2cc(cc1)C=C)(C)C |
| Title of publication | Polymeric Monosaccharide Receptors Responsive at Neutral pH |
| Authors of publication | Kyoung Taek Kim; Jeroen J. L. M. Cornelissen; Roeland J. M. Nolte; Jan C. M. van Hest |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2009 |
| Journal volume | 131 |
| Pages of publication | 13908 - 13909 |
| a | 7.5161 ± 0.0005 Å |
| b | 10.3189 ± 0.0005 Å |
| c | 10.7196 ± 0.0008 Å |
| α | 90° |
| β | 89.877 ± 0.006° |
| γ | 90° |
| Cell volume | 831.39 ± 0.09 Å3 |
| Cell temperature | 208 ± 2 K |
| Ambient diffraction temperature | 208 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0526 |
| Residual factor for significantly intense reflections | 0.042 |
| Weighted residual factors for all reflections | 0.0891 |
| Weighted residual factors for significantly intense reflections | 0.0849 |
| Weighted residual factors for all reflections included in the refinement | 0.0891 |
| Goodness-of-fit parameter for all reflections | 1.106 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.106 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301832 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
4105086.cif |
| 178796 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/50. |
4105086.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4105086.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4105086.cif |
| 30278 | 2011-11-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4105086 via cif-deposit CGI script. |
4105086.cif |
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Users of the data should acknowledge the original authors of the
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