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Information card for entry 1553682
Preview
Coordinates | 1553682.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H16 I N O2 |
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Calculated formula | C17 H16 I N O2 |
SMILES | Ic1ccc(/C(=C/C(=O)c2ccc(N(C)C)cc2)O)cc1 |
Title of publication | Controlling solid-state optical properties of stimuli responsive dimethylamino-substituted dibenzoylmethane materials |
Authors of publication | Butler, Tristan; Wang, Fang; Sabat, Michal; Fraser, Cassandra L. |
Journal of publication | Materials Chemistry Frontiers |
Year of publication | 2017 |
Journal volume | 1 |
Journal issue | 9 |
Pages of publication | 1804 |
a | 6.1493 ± 0.0013 Å |
b | 12.443 ± 0.003 Å |
c | 19.762 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1512.1 ± 0.6 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0167 |
Residual factor for significantly intense reflections | 0.0165 |
Weighted residual factors for significantly intense reflections | 0.0426 |
Weighted residual factors for all reflections included in the refinement | 0.0427 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.827 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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