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Information card for entry 4037584
Preview
| Coordinates | 4037584.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C42 H30 F2 Ge |
|---|---|
| Calculated formula | C42 H30 F2 Ge |
| SMILES | C12(c3c(C(c4c1cccc4)c1c2cccc1)c(ccc3)C)[Ge](C12c3c(C(c4c1cccc4)c1c2cccc1)c(ccc3)C)(F)F |
| Title of publication | Gear Slippage in Molecular Bevel Gears Bridged with a Group 14 Element. |
| Authors of publication | Okamura, Kazuma; Inagaki, Yusuke; Momma, Hiroyuki; Kwon, Eunsang; Setaka, Wataru |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2019 |
| Journal volume | 84 |
| Journal issue | 22 |
| Pages of publication | 14636 - 14643 |
| a | 18.901 ± 0.003 Å |
| b | 18.901 ± 0.003 Å |
| c | 17.635 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6300.1 ± 1.8 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 88 |
| Hermann-Mauguin space group symbol | I 41/a :2 |
| Hall space group symbol | -I 4ad |
| Residual factor for all reflections | 0.0618 |
| Residual factor for significantly intense reflections | 0.0493 |
| Weighted residual factors for significantly intense reflections | 0.1335 |
| Weighted residual factors for all reflections included in the refinement | 0.1393 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301828 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
4037584.cif |
| 236389 | 2019-11-24 | cif/ Adding structures of 4037584 via cif-deposit CGI script. |
4037584.cif |
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Users of the data should acknowledge the original authors of the
structural data.