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Information card for entry 4133482
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Coordinates | 4133482.cif |
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Original paper (by DOI) | HTML |
Formula | C178 H234 Li2 O18 |
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Calculated formula | C178 H234 Li2 O18 |
Title of publication | Extended Bis(anthraoxa)quinodimethanes with Nine and Ten Consecutively Fused Six-Membered Rings: Neutral Diradicaloids and Charged Diradical Dianions/Dications. |
Authors of publication | Dong, Shaoqiang; Gopalakrishna, Tullimilli Y.; Han, Yi; Phan, Hoa; Tao, Tao; Ni, Yong; Liu, Gang; Chi, Chunyan |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2019 |
Journal volume | 141 |
Journal issue | 1 |
Pages of publication | 62 - 66 |
a | 14.0023 ± 0.0014 Å |
b | 17.9457 ± 0.0018 Å |
c | 18.3619 ± 0.0018 Å |
α | 116.776 ± 0.003° |
β | 100.802 ± 0.004° |
γ | 99.945 ± 0.003° |
Cell volume | 3868.4 ± 0.7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0869 |
Residual factor for significantly intense reflections | 0.0794 |
Weighted residual factors for significantly intense reflections | 0.2366 |
Weighted residual factors for all reflections included in the refinement | 0.2471 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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