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Information card for entry 7234468
Preview
| Coordinates | 7234468.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C70 H92 N4 O2 Si4 |
|---|---|
| Calculated formula | C70 H92 N4 O2 Si4 |
| Title of publication | N-Heteroheptacenequinone and N-heterononacenequinone: synthesis, physical properties, crystal structures and photoelectrochemical behaviors |
| Authors of publication | Junbo Li; Jianwei Miao; Guankui Long; Jing Zhang; Yongxin Li; Rakesh Ganguly; Yang Zhao; Yi Liu; Bin Liu; Qichun Zhang |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2015 |
| Journal volume | 3 |
| Pages of publication | 9877 - 9884 |
| a | 10.1577 ± 0.0004 Å |
| b | 10.6488 ± 0.0004 Å |
| c | 17.1688 ± 0.0006 Å |
| α | 84.169 ± 0.002° |
| β | 88.405 ± 0.002° |
| γ | 63.987 ± 0.002° |
| Cell volume | 1660.04 ± 0.11 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1538 |
| Residual factor for significantly intense reflections | 0.0772 |
| Weighted residual factors for significantly intense reflections | 0.1969 |
| Weighted residual factors for all reflections included in the refinement | 0.2499 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| 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. |
7234468.cif |
| 219160 | 2019-10-08 | cif/ Adding structures of 7234468, 7234469, 7234470 via cif-deposit CGI script. |
7234468.cif |
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Users of the data should acknowledge the original authors of the
structural data.