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Information card for entry 1505911
Preview
| Coordinates | 1505911.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C151 H80 O10 |
|---|---|
| Calculated formula | C151 H80 O10 |
| SMILES | C12C3=C4C5=C1C1(c6c7C5(c5c8C4(c4c9C3(c3c%10C2(c2c1c1c6c6c%11c7c5c5c7c8c4c4c8c9c3c3c9c%10c2c2c1c1c6c6c%11c5c5c7c4c4c8c3c3c9c2c1c1c3c4c5c61)c1ccc(cc1)C(=O)Oc1ccc(cc1)C)c1ccc(cc1)C(=O)Oc1ccc(cc1)C)c1ccc(cc1)C(=O)Oc1ccc(cc1)C)c1ccc(cc1)C(=O)Oc1ccc(cc1)C)c1ccc(cc1)C(=O)Oc1ccc(cc1)C.c1(ccccc1)C.c1(ccccc1)C.c1(ccccc1)C |
| Title of publication | Convergent synthesis of a polyfunctionalized fullerene by regioselective five-fold addition of a functionalized organocopper reagent to C60. |
| Authors of publication | Zhong, Yu-Wu; Matsuo, Yutaka; Nakamura, Eiichi |
| Journal of publication | Organic letters |
| Year of publication | 2006 |
| Journal volume | 8 |
| Journal issue | 7 |
| Pages of publication | 1463 - 1466 |
| a | 21.326 ± 0.005 Å |
| b | 21.2 ± 0.005 Å |
| c | 23.53 ± 0.005 Å |
| α | 90 ± 0.005° |
| β | 111.92 ± 0.005° |
| γ | 90 ± 0.005° |
| Cell volume | 9869 ± 4 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for all reflections | 0.1976 |
| Residual factor for significantly intense reflections | 0.1211 |
| Weighted residual factors for significantly intense reflections | 0.291 |
| Weighted residual factors for all reflections included in the refinement | 0.3447 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1505911.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1505911.cif |
| 47846 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1505911 via cif-deposit CGI script. |
1505911.cif |
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