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Information card for entry 1549428
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Coordinates | 1549428.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H28 Cl O |
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Calculated formula | C42 H28 Cl O |
Title of publication | Curved π-conjugated corannulene dimer diradicaloids. |
Authors of publication | Wang, Qing; Hu, Pan; Tanaka, Takayuki; Gopalakrishna, Tullimilli Y.; Herng, Tun Seng; Phan, Hoa; Zeng, Wangdong; Ding, Jun; Osuka, Atsuhiro; Chi, Chunyan; Siegel, Jay; Wu, Jishan |
Journal of publication | Chemical science |
Year of publication | 2018 |
Journal volume | 9 |
Journal issue | 22 |
Pages of publication | 5100 - 5105 |
a | 7.3515 ± 0.0007 Å |
b | 11.2839 ± 0.0011 Å |
c | 19.4024 ± 0.0019 Å |
α | 74.348 ± 0.009° |
β | 87.386 ± 0.008° |
γ | 73.241 ± 0.008° |
Cell volume | 1483.1 ± 0.3 Å3 |
Cell temperature | 93 ± 2 K |
Ambient diffraction temperature | 93 ± 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 | 0.1661 |
Residual factor for significantly intense reflections | 0.0854 |
Weighted residual factors for significantly intense reflections | 0.212 |
Weighted residual factors for all reflections included in the refinement | 0.273 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/1549428.html
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Users of the data should acknowledge the original authors of the
structural data.