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Information card for entry 4032551
Preview
Coordinates | 4032551.cif |
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Original paper (by DOI) | HTML |
Formula | C79.63 H13.86 Cl0.77 F6 Li N O4 S2 |
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Calculated formula | C79.626 H13.855 Cl0.771 F6 Li N O4 S2 |
Title of publication | Crystallographic Structure Determination of Both [5,6]- and [6,6]-Isomers of Lithium-Ion-Containing Diphenylmethano[60]fullerene. |
Authors of publication | Okada, Hiroshi; Kawakami, Hiroki; Aoyagi, Shinobu; Matsuo, Yutaka |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 11 |
Pages of publication | 5868 - 5872 |
a | 10.377 ± 0.001 Å |
b | 14.517 ± 0.001 Å |
c | 18.313 ± 0.002 Å |
α | 85.74 ± 0.01° |
β | 72.95 ± 0.01° |
γ | 68.68 ± 0.01° |
Cell volume | 2455.4 ± 0.5 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.066 |
Residual factor for significantly intense reflections | 0.0653 |
Weighted residual factors for significantly intense reflections | 0.1823 |
Weighted residual factors for all reflections included in the refinement | 0.1833 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
Diffraction radiation wavelength | 0.41289 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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