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Information card for entry 7233519
Preview
Coordinates | 7233519.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H26 O5 S2 |
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Calculated formula | C40 H26 O5 S2 |
SMILES | s1c2c(c(=O)oc(c2)c2c3ccccc3cc3ccccc23)c2c1cc(oc2=O)c1c2ccccc2cc2ccccc12.S(=O)(C)C |
Title of publication | Structurally simple thienodipyrandione-containing reversible fluorescent switching piezo- and acido-chromic materials |
Authors of publication | Rajeswara Rao M; Chia-Wei Liao; Shih-Sheng Sun |
Journal of publication | Journal of Materials Chemistry C |
Year of publication | 2013 |
Journal volume | 1 |
Pages of publication | 6386 - 6394 |
a | 36.933 ± 0.005 Å |
b | 13.519 ± 0.0017 Å |
c | 11.839 ± 0.0013 Å |
α | 90° |
β | 94.1 ± 0.012° |
γ | 90° |
Cell volume | 5896.1 ± 1.3 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 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 | 0.2354 |
Residual factor for significantly intense reflections | 0.0962 |
Weighted residual factors for significantly intense reflections | 0.1762 |
Weighted residual factors for all reflections included in the refinement | 0.2348 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7233519.html
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