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Information card for entry 1558179
Preview
| Coordinates | 1558179.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C201 H174 Cl6 |
|---|---|
| Calculated formula | C201 H174 Cl6 |
| Title of publication | Synthesis of Cycloiptycenes from Carbon Nanobelt |
| Authors of publication | Shudo, Hiroki; Kuwayama, Motonobu; Segawa, Yasutomo; Itami, Kenichiro |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| a | 46.422 ± 0.004 Å |
| b | 7.7267 ± 0.0006 Å |
| c | 46.356 ± 0.004 Å |
| α | 90° |
| β | 109.884 ± 0.01° |
| γ | 90° |
| Cell volume | 15636 ± 2 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123.15 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 | 0.4275 |
| Residual factor for significantly intense reflections | 0.1677 |
| Weighted residual factors for significantly intense reflections | 0.3823 |
| Weighted residual factors for all reflections included in the refinement | 0.4979 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1558179.cif |
| 288248 | 2023-12-12 | cif/ Removed the misspelt '_symmetry_space_group_name_h-m_alt' data name since the same space group information is already provided using proper data names. |
1558179.cif |
| 252658 | 2020-06-05 | cif/ Adding structures of 1558177, 1558178, 1558179, 1558180 via cif-deposit CGI script. |
1558179.cif |
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Users of the data should acknowledge the original authors of the
structural data.