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Information card for entry 7232674
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Coordinates | 7232674.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H44 N2 O4 |
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Calculated formula | C36 H44 N2 O4 |
Title of publication | Structure‒property relationships in aromatic thioethers featuring aggregation-induced emission: solid-state structures and theoretical analysis |
Authors of publication | Saccone, Marco; Riebe, Steffen; Stelzer, Jacqueline; Wölper, Christoph; Daniliuc, Constantin G.; Voskuhl, Jens; Giese, Michael |
Journal of publication | CrystEngComm |
Year of publication | 2019 |
Journal volume | 21 |
Journal issue | 19 |
Pages of publication | 3097 |
a | 13.8935 ± 0.0006 Å |
b | 15.9032 ± 0.0007 Å |
c | 15.2978 ± 0.0007 Å |
α | 90° |
β | 108.757 ± 0.002° |
γ | 90° |
Cell volume | 3200.6 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0398 |
Residual factor for significantly intense reflections | 0.0353 |
Weighted residual factors for significantly intense reflections | 0.0867 |
Weighted residual factors for all reflections included in the refinement | 0.0894 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7232674.html
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