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Information card for entry 7118136
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Coordinates | 7118136.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | (SPBipy)Br |
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Chemical name | Spiropyran-ethane-bipyridine |
Formula | C30 H27 Br N4 O3 |
Calculated formula | C30 H27 Br N4 O3 |
Title of publication | Coupled molecular motions driven by light or chemical inputs: spiropyran to merocyanine isomerisation followed by pseudorotaxane formation. |
Authors of publication | Hernández-Melo, Denhy; Tiburcio, Jorge |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2015 |
Journal volume | 51 |
Journal issue | 99 |
Pages of publication | 17564 - 17567 |
a | 8.1126 ± 0.0002 Å |
b | 18.8402 ± 0.0006 Å |
c | 19.4228 ± 0.0006 Å |
α | 88.825 ± 0.001° |
β | 88.363 ± 0.002° |
γ | 84.224 ± 0.002° |
Cell volume | 2951.9 ± 0.15 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1516 |
Residual factor for significantly intense reflections | 0.1037 |
Weighted residual factors for significantly intense reflections | 0.2575 |
Weighted residual factors for all reflections included in the refinement | 0.2858 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/7118136.html
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Users of the data should acknowledge the original authors of the
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