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Information card for entry 1554906
Preview
Coordinates | 1554906.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C47 H45 F4 O7 |
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Calculated formula | C47 H45 F4 O7 |
SMILES | C1(C2c3c(c4cc(C(C)(C)C)ccc4c4oc5cc(c(OC)c(C6(Oc7c(C=26)cc(OC)c(OC)c7)c2ccc(C(C)(C)C)cc2)c5c34)OC)C1(F)F)(F)F.C(C)O |
Title of publication | Unusual structural changes as a result of weathering benzofuran-based diarylethenes in simulated sunlight |
Authors of publication | Wu, Tuoqi; Senior, James; Bremner, Glen; Finden, Jeremy; Branda, Neil R. |
Journal of publication | Organic Chemistry Frontiers |
Year of publication | 2019 |
Journal volume | 6 |
Journal issue | 12 |
Pages of publication | 1961 |
a | 11.4709 ± 0.0017 Å |
b | 13.897 ± 0.002 Å |
c | 14.895 ± 0.002 Å |
α | 107.986 ± 0.004° |
β | 112.427 ± 0.004° |
γ | 96.387 ± 0.005° |
Cell volume | 2015.5 ± 0.5 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1248 |
Residual factor for significantly intense reflections | 0.0777 |
Weighted residual factors for significantly intense reflections | 0.2288 |
Weighted residual factors for all reflections included in the refinement | 0.2729 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/1554906.html
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Users of the data should acknowledge the original authors of the
structural data.