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Information card for entry 7062052
Preview
Coordinates | 7062052.cif |
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Original paper (by DOI) | HTML |
Common name | SS-TBDR34C6 . BlueBox . 4PF6 |
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Chemical name | (2S,4aR,5S,6aS,22S,25aS,26S)-dodecahydro-1H,6H-2,8-(epoxyethanooxyethanooxy[1,5]naphthalenooxyethanooxyethanooxy)-5,11-ethanodibenzo[b,f][1,5]diazocine.1,2,7(4,1),6(1,4)-tetrapyridin-1-iuma-4,9(1,4)-dibenzenacyclodecaphane-11,21,61,71-tetraium.tetrakis hexafluorophosphate |
Formula | C70 H69 F24 N6 O6 P4 |
Calculated formula | C70 H69 F24 N6 O6 P4 |
Title of publication | A nitrogen-based chiral catenane for enantioenriching photocatalytic aerobic oxidation |
Authors of publication | Kazem-Rostami, Masoud |
Journal of publication | New Journal of Chemistry |
Year of publication | 2022 |
Journal volume | 46 |
Journal issue | 45 |
Pages of publication | 21898 - 21905 |
a | 14.1062 ± 0.0003 Å |
b | 25.2825 ± 0.0007 Å |
c | 24.5285 ± 0.0008 Å |
α | 90° |
β | 91.98 ± 0.003° |
γ | 90° |
Cell volume | 8742.6 ± 0.4 Å3 |
Cell temperature | 250 ± 0.1 K |
Ambient diffraction temperature | 250 ± 0.1 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 | 0.1463 |
Residual factor for significantly intense reflections | 0.1291 |
Weighted residual factors for significantly intense reflections | 0.3292 |
Weighted residual factors for all reflections included in the refinement | 0.346 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.256 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/7062052.html
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Users of the data should acknowledge the original authors of the
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