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Information card for entry 1554905
Preview
Coordinates | 1554905.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C45 H42 F4 O7 |
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Calculated formula | C45 H42 F4 O7 |
SMILES | O=C1C(F)(C(F)(F)C(=C1c1c2c(oc1c1ccc(cc1)C(C)(C)C)cc(OC)c(OC)c2)c1c2c(oc1c1ccc(cc1)C(C)(C)C)cc(OC)c(OC)c2)F |
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 | 15.1446 ± 0.0014 Å |
b | 24.455 ± 0.002 Å |
c | 20.982 ± 0.003 Å |
α | 90° |
β | 93.45 ± 0.003° |
γ | 90° |
Cell volume | 7756.8 ± 1.5 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0658 |
Residual factor for significantly intense reflections | 0.0493 |
Weighted residual factors for significantly intense reflections | 0.129 |
Weighted residual factors for all reflections included in the refinement | 0.1405 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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