Information card for entry 1549427

Structure parameters

• Formula: C36 H24 O
• 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 ų
• 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