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Information card for entry 7115023
Preview
| Coordinates | 7115023.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C214 H120 Cl4 O40 |
|---|---|
| Calculated formula | C214 H120 Cl4 O40 |
| SMILES | C123C4(c5c6c7c1c1c8c2c2c9c4c4c5c5c%10c6C6%11c7c7c1C1%12C%13(c8c8c2C2%14c9c9c4C4%15C5(c5c%10c%10C6(c6c7c1c1c7c%13c8c8C2(c2c9c4c4c5c5c%10c6c1C16c7c8c2c4C51C6(C(=O)OCC)C(=O)OCC)C%14(C(=O)OCC)C(=O)OCC)C%11(C(=O)OCC)C(=O)OCC)C%15(C(=O)OCC)C(=O)OCC)C%12(C(=O)OCC)C(=O)OCC)C12C43c3c5c6c1c1c7c2c2c8c4c4c3c3c9c5C5%10c6c6c1C1%11C%12(c7c7c2C2%13c8c8c4C4%14C3(c3c9c9C5(c5c6c1c1c6c%12c7c7C2(c2c8c4c4c3c3c9c5c1C15c6c7c2c4C31C5(C(=O)OCC)C(=O)OCC)C%13(C(=O)OCC)C(=O)OCC)C%10(C(=O)OCC)C(=O)OCC)C%14(C(=O)OCC)C(=O)OCC)C%11(C(=O)OCC)C(=O)OCC.Clc1ccccc1.c1(ccccc1)Cl.Clc1ccccc1.Clc1ccccc1 |
| Title of publication | First synthesis of a highly symmetrical decakis-adduct of fullerene dimer C120 |
| Authors of publication | Fujiwara, Koichi; Komatsu, Koichi |
| Journal of publication | Chemical Communications |
| Year of publication | 2001 |
| Journal issue | 19 |
| Pages of publication | 1986 |
| a | 14.4234 ± 0.0007 Å |
| b | 14.5285 ± 0.0007 Å |
| c | 19.5453 ± 0.0009 Å |
| α | 105.288 ± 0.001° |
| β | 100.531 ± 0.001° |
| γ | 93.227 ± 0.001° |
| Cell volume | 3860.6 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.123 |
| Residual factor for significantly intense reflections | 0.0747 |
| Weighted residual factors for significantly intense reflections | 0.2076 |
| Weighted residual factors for all reflections included in the refinement | 0.237 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.965 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180264 (current) | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/50. |
7115023.cif |
| 118487 | 2014-06-30 | cif/ Adding structures of 7115023 via cif-deposit CGI script. |
7115023.cif |
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Users of the data should acknowledge the original authors of the
structural data.