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Information card for entry 7123710
Preview
| Coordinates | 7123710.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H17 N O2 |
|---|---|
| Calculated formula | C18 H17 N O2 |
| Title of publication | Electron transfer across a spiro link: extreme solvatofluorochromism of a compact spiro-bridged N,N-dimethylaniline-phthalide dyad |
| Authors of publication | Karpiuk, Jerzy; Gawrys, Pawel; Karpiuk, Elena; Suwinska, Kinga |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 7.8987 ± 0.0007 Å |
| b | 6.2421 ± 0.0006 Å |
| c | 14.8718 ± 0.0014 Å |
| α | 90° |
| β | 103.53 ± 0.005° |
| γ | 90° |
| Cell volume | 712.9 ± 0.12 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.037 |
| Residual factor for significantly intense reflections | 0.0339 |
| Weighted residual factors for significantly intense reflections | 0.082 |
| Weighted residual factors for all reflections included in the refinement | 0.0855 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7123710.cif |
| 216481 | 2019-06-22 | cif/ Adding structures of 7123710 via cif-deposit CGI script. |
7123710.cif |
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Users of the data should acknowledge the original authors of the
structural data.