Information card for entry 4132403

Structure parameters

• Formula: C84 H60 Cl4 N4
• Calculated formula: C84 H60 Cl4 N4
• Title of publication: Toward Full Zigzag-Edged Nanographenes: peri-Tetracene and Its Corresponding Circumanthracene.
• Authors of publication: Ajayakumar, M. R.; Fu, Yubin; Ma, Ji; Hennersdorf, Felix; Komber, Hartmut; Weigand, Jan J.; Alfonsov, Alexey; Popov, Alexey A.; Berger, Reinhard; Liu, Junzhi; Müllen, Klaus; Feng, Xinliang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 20
• Pages of publication: 6240 - 6244
• a: 9.2425 ± 0.0002 Å
• b: 12.1233 ± 0.0004 Å
• c: 14.1393 ± 0.0006 Å
• α: 100.537 ± 0.003°
• β: 95.652 ± 0.003°
• γ: 91.759 ± 0.002°
• Cell volume: 1548.09 ± 0.09 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0612
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1608
• Weighted residual factors for all reflections included in the refinement: 0.1684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No