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Information card for entry 4500964
Preview
| Coordinates | 4500964.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C42 H31 O4 |
|---|---|
| Calculated formula | C42 H31 O4 |
| Title of publication | Supramolecular Networks in Crystalline Inclusion Complexes Formed from a New Host: 2,2-Bis(4-hydroxy-3-phenylphenyl)-1H-indene-1,3(2H)-dione |
| Authors of publication | Kasugai, Kenta; Hashimoto, Suzumi; Imai, Kazunori; Sakon, Aya; Fujii, Kotaro; Uekusa, Hidehiro; Hayashi, Naoto; Kobayashi, Keiji |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2011 |
| Journal volume | 11 |
| Journal issue | 9 |
| Pages of publication | 4044 |
| a | 15.775 ± 0.005 Å |
| b | 9.796 ± 0.002 Å |
| c | 20.695 ± 0.005 Å |
| α | 90° |
| β | 94.896 ± 0.011° |
| γ | 90° |
| Cell volume | 3186.4 ± 1.4 Å3 |
| Cell temperature | 223.1 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for significantly intense reflections | 0.0431 |
| Weighted residual factors for all reflections included in the refinement | 0.0107 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.943 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301842 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/50/ Each referenced PubChem compound corresponds to the full crystal structure. |
4500964.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4500964.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4500964.cif |
| 34697 | 2012-02-25 | ../uploads/cif-deposit/cod/cif Adding structures of 4500964 via cif-deposit CGI script. |
4500964.cif |
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Users of the data should acknowledge the original authors of the
structural data.