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Information card for entry 7236653
Preview
| Coordinates | 7236653.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | TIPSTEP-Mg-Ph-Pyridine |
|---|---|
| Chemical name | TIPSTEP-Mg-Ph-Pyridine |
| Formula | C63 H65 Mg N5 Si2 |
| Calculated formula | C63 H65 Mg N5 Si2 |
| Title of publication | Substituent effects in magnesium tetraethynylporphyrin with two diketopyrrolopyrrole units for bulk heterojunction organic solar cells |
| Authors of publication | Ogumi, Keisuke; Nakagawa, Takafumi; Okada, Hiroshi; Sakai, Ryohei; Wang, Huan; Matsuo, Yutaka |
| Journal of publication | Journal of Materials Chemistry A |
| Year of publication | 2017 |
| Journal volume | 5 |
| Journal issue | 44 |
| Pages of publication | 23067 |
| a | 16.4994 ± 0.0003 Å |
| b | 17.8761 ± 0.0003 Å |
| c | 19.447 ± 0.0004 Å |
| α | 90.9771 ± 0.0007° |
| β | 100.693 ± 0.0007° |
| γ | 102.996 ± 0.0007° |
| Cell volume | 5481.48 ± 0.18 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 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 | 0.1301 |
| Residual factor for significantly intense reflections | 0.0754 |
| Weighted residual factors for significantly intense reflections | 0.2058 |
| Weighted residual factors for all reflections included in the refinement | 0.2472 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.106 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| 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. |
7236653.cif |
| 236387 | 2019-11-24 | cif/ Adding structures of 7236653 via cif-deposit CGI script. |
7236653.cif |
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Users of the data should acknowledge the original authors of the
structural data.