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Information card for entry 1554222
Preview
Coordinates | 1554222.cif |
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Original paper (by DOI) | HTML |
Formula | C34 H42 F2 N8 O8 |
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Calculated formula | C34 H42 F2 N8 O8 |
Title of publication | Controlling the canonical/zwitterionic balance through intramolecular proton transfer: a strategy for vapochromism |
Authors of publication | Pascal, Simon; Lavaud, Lucien; Azarias, Cloé; Canard, Gabriel; Giorgi, Michel; Jacquemin, Denis; Siri, Olivier |
Journal of publication | Materials Chemistry Frontiers |
Year of publication | 2018 |
Journal volume | 2 |
Journal issue | 9 |
Pages of publication | 1618 |
a | 9.0537 ± 0.0002 Å |
b | 17.8869 ± 0.0004 Å |
c | 22.6505 ± 0.0004 Å |
α | 90° |
β | 92.648 ± 0.002° |
γ | 90° |
Cell volume | 3664.16 ± 0.13 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.093 |
Residual factor for significantly intense reflections | 0.0727 |
Weighted residual factors for significantly intense reflections | 0.2032 |
Weighted residual factors for all reflections included in the refinement | 0.2245 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
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237035 (current) | 2019-11-24 | cif/ Adding structures of 1554221, 1554222 via cif-deposit CGI script. |
1554222.cif |
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Users of the data should acknowledge the original authors of the
structural data.