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Information card for entry 4518740
Preview
| Coordinates | 4518740.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H26 N2 O4 |
|---|---|
| Calculated formula | C34 H26 N2 O4 |
| Title of publication | Trace-Level Humidity Sensing from Commercial Organic Solvents and Food Products by an AIE/ESIPT-Triggered Piezochromic Luminogen and ppb-Level “OFF‒ON‒OFF” Sensing of Cu2+: A Combined Experimental and Theoretical Outcome |
| Authors of publication | Das, Riyanka; Bej, Sourav; Hirani, Harish; Banerjee, Priyabrata |
| Journal of publication | ACS Omega |
| Year of publication | 2021 |
| a | 8.617 ± 0.002 Å |
| b | 21.565 ± 0.007 Å |
| c | 13.651 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2536.7 ± 1.3 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 109.67 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1484 |
| Residual factor for significantly intense reflections | 0.0767 |
| Weighted residual factors for significantly intense reflections | 0.1733 |
| Weighted residual factors for all reflections included in the refinement | 0.2189 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 265486 (current) | 2021-05-26 | cif/ Adding structures of 4518740 via cif-deposit CGI script. |
4518740.cif |
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Users of the data should acknowledge the original authors of the
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