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Information card for entry 7131023
Preview
| Coordinates | 7131023.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H28 |
|---|---|
| Calculated formula | C48 H28 |
| Title of publication | Transformation of π-conjugated macrocycles: from furanophanes to napthalenophanes. |
| Authors of publication | Rajagopal, Shinaj K.; Dishi, Or; Bogoslavsky, Benny; Gidron, Ori |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2022 |
| a | 8.0162 ± 0.0004 Å |
| b | 7.6603 ± 0.0006 Å |
| c | 25.2391 ± 0.0019 Å |
| α | 90° |
| β | 90.158 ± 0.005° |
| γ | 90° |
| Cell volume | 1549.84 ± 0.19 Å3 |
| Cell temperature | 297.7 ± 1 K |
| Ambient diffraction temperature | 297.7 ± 1 K |
| Number of distinct elements | 2 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0962 |
| Residual factor for significantly intense reflections | 0.0525 |
| Weighted residual factors for significantly intense reflections | 0.1189 |
| Weighted residual factors for all reflections included in the refinement | 0.1316 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.957 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279473 (current) | 2022-11-23 | cif/ Adding structures of 7131023, 7131024, 7131025 via cif-deposit CGI script. |
7131023.cif |
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Users of the data should acknowledge the original authors of the
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