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Information card for entry 7710503
Preview
| Coordinates | 7710503.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H14 O4.08 Se |
|---|---|
| Calculated formula | C18 H14 O4.081 Se |
| Title of publication | Synthesis and Single Crystal X-ray Study of Phenylselenyl Embedded Coumarin-Based Sensors for Selective Detection of Superoxide |
| Authors of publication | Malankar, Gauri S.; Shelar, Divyesh S.; Butcher, R. J.; Manjare, Sudesh T. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2022 |
| a | 7.6073 ± 0.0005 Å |
| b | 9.4274 ± 0.0009 Å |
| c | 12.157 ± 0.0011 Å |
| α | 106.478 ± 0.003° |
| β | 104.683 ± 0.002° |
| γ | 103.015 ± 0.002° |
| Cell volume | 766.15 ± 0.11 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0382 |
| Residual factor for significantly intense reflections | 0.0295 |
| Weighted residual factors for significantly intense reflections | 0.0639 |
| Weighted residual factors for all reflections included in the refinement | 0.0669 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276071 (current) | 2022-06-17 | cif/ Adding structures of 7710502, 7710503 via cif-deposit CGI script. |
7710503.cif |
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Users of the data should acknowledge the original authors of the
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