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Information card for entry 1549427
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Coordinates | 1549427.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H24 O |
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Calculated formula | C36 H24 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 | 10.7377 ± 0.0004 Å |
b | 7.2096 ± 0.0003 Å |
c | 30.6438 ± 0.001 Å |
α | 90° |
β | 97.73 ± 0.003° |
γ | 90° |
Cell volume | 2350.72 ± 0.15 Å3 |
Cell temperature | 93 ± 2 K |
Ambient diffraction temperature | 93 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0739 |
Residual factor for significantly intense reflections | 0.0475 |
Weighted residual factors for significantly intense reflections | 0.114 |
Weighted residual factors for all reflections included in the refinement | 0.1294 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1549427.html
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Users of the data should acknowledge the original authors of the
structural data.