Information card for entry 4130555

Structure parameters

• Formula: C123 H114 N6 O6
• Calculated formula: C123 H114 N6 O6
• Title of publication: Fully Fused Quinoidal/Aromatic Carbazole Macrocycles with Poly-radical Characters.
• Authors of publication: Das, Soumyajit; Herng, Tun Seng; Zafra, José L; Burrezo, Paula Mayorga; Kitano, Masaaki; Ishida, Masatoshi; Gopalakrishna, Tullimilli Y.; Hu, Pan; Osuka, Atsuhiro; Casado, Juan; Ding, Jun; Casanova, David; Wu, Jishan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 24
• Pages of publication: 7782 - 7790
• a: 38.523 ± 0.0006 Å
• b: 38.523 ± 0.0006 Å
• c: 14.3978 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 21366.6 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.1733
• Residual factor for significantly intense reflections: 0.1179
• Weighted residual factors for significantly intense reflections: 0.3424
• Weighted residual factors for all reflections included in the refinement: 0.3812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.343
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No