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Information card for entry 7236668
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| Coordinates | 7236668.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | triptycene tribenzoquinone |
|---|---|
| Chemical name | 9,10-dihydro-9,10-o-Benzenoanthracene-1,4,5,8,13,16-hexone |
| Formula | C20 H8 O6 |
| Calculated formula | C20 H8 O6 |
| Title of publication | Triptycene-based quinone molecules showing multi-electron redox reactions for large capacity and high energy organic cathode materials in Li-ion batteries |
| Authors of publication | Kwon, Ji Eon; Hyun, Chang-Seok; Ryu, Young Jun; Lee, Joungphil; Min, Dong Joo; Park, Moon Jeong; An, Byeong-Kwan; Park, Soo Young |
| Journal of publication | Journal of Materials Chemistry A |
| Year of publication | 2018 |
| Journal volume | 6 |
| Journal issue | 7 |
| Pages of publication | 3134 |
| a | 10.8498 ± 0.0004 Å |
| b | 10.8498 ± 0.0004 Å |
| c | 12.7484 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1500.72 ± 0.1 Å3 |
| Cell temperature | 304.5 K |
| Ambient diffraction temperature | 304.5 K |
| Number of distinct elements | 3 |
| Space group number | 109 |
| Hermann-Mauguin space group symbol | I 41 m d |
| Hall space group symbol | I 4bw -2 |
| Residual factor for all reflections | 0.0544 |
| Residual factor for significantly intense reflections | 0.0394 |
| Weighted residual factors for significantly intense reflections | 0.0875 |
| Weighted residual factors for all reflections included in the refinement | 0.0942 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7236668.cif |
| 236401 | 2019-11-24 | cif/ Adding structures of 7236668 via cif-deposit CGI script. |
7236668.cif |
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Users of the data should acknowledge the original authors of the
structural data.