Information card for entry 4133481

Structure parameters

• Formula: C118 H104 F6 O6
• Calculated formula: C118 H104 F6 O6
• 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: 7.6416 ± 0.0002 Å
• b: 15.0479 ± 0.0005 Å
• c: 23.3547 ± 0.0008 Å
• α: 89.396 ± 0.002°
• β: 86.094 ± 0.001°
• γ: 83.812 ± 0.001°
• Cell volume: 2663.69 ± 0.15 ų
• 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: 0.1057
• Residual factor for significantly intense reflections: 0.0969
• Weighted residual factors for significantly intense reflections: 0.2621
• Weighted residual factors for all reflections included in the refinement: 0.2704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No