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Information card for entry 7117175
Preview
| Coordinates | 7117175.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 2,17-Dioxo[3,3](4,4')biphenylophane |
|---|---|
| Formula | C30 H24 O2 |
| Calculated formula | C30 H24 O2 |
| Title of publication | One-step synthesis of a cyclic 2,17-dioxo[3,3](4,4') biphenylophane and first preparation of a microporous polymer network from a macrocyclic precursor by cyclotrimerization |
| Authors of publication | Suman Kalyan Samanta; Eduard Preis; Christian W. Lehmann; Richard Goddard; Saientan Bag; Prabal K. Maiti; Gunther Brunklaus; Ullrich Scherf |
| Journal of publication | Chem.Commun. |
| Year of publication | 2015 |
| Journal volume | 51 |
| Pages of publication | 9046 |
| a | 31.067 ± 0.015 Å |
| b | 13.835 ± 0.006 Å |
| c | 15.67 ± 0.007 Å |
| α | 90° |
| β | 93.254 ± 0.011° |
| γ | 90° |
| Cell volume | 6724 ± 5 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1448 |
| Residual factor for significantly intense reflections | 0.0858 |
| Weighted residual factors for significantly intense reflections | 0.1739 |
| Weighted residual factors for all reflections included in the refinement | 0.1979 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.8 Å |
| Diffraction radiation type | Mo-Kα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7117175.cif |
| 136595 | 2015-05-15 | cif/ Adding structures of 7117175 via cif-deposit CGI script. |
7117175.cif |
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Users of the data should acknowledge the original authors of the
structural data.