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Information card for entry 7129318
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| Coordinates | 7129318.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C66 H60 O2 |
|---|---|
| Calculated formula | C66 H59.5 O2 |
| Title of publication | Coronene-Embedded ‘Super’ Coumarins |
| Authors of publication | Parthasarathy, Venkatakrishnan; Kashyap, Nitisha; Chetti, Prabhakar |
| Journal of publication | Chemical Communications |
| Year of publication | 2021 |
| a | 11.778 ± 0.009 Å |
| b | 13.919 ± 0.012 Å |
| c | 16.801 ± 0.015 Å |
| α | 96.26 ± 0.04° |
| β | 108.02 ± 0.04° |
| γ | 105.66 ± 0.04° |
| Cell volume | 2466 ± 4 Å3 |
| Cell temperature | 297 ± 2 K |
| Ambient diffraction temperature | 297 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1434 |
| Residual factor for significantly intense reflections | 0.0793 |
| Weighted residual factors for significantly intense reflections | 0.2083 |
| Weighted residual factors for all reflections included in the refinement | 0.2752 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 270913 (current) | 2021-11-30 | cif/ Adding structures of 7129318 via cif-deposit CGI script. |
7129318.cif |
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Users of the data should acknowledge the original authors of the
structural data.