Information card for entry 7053789

Structure parameters

• Formula: C54 H36 Cl6 N4
• Calculated formula: C54 H36 Cl6 N4
• SMILES: Clc1c(c2nc(c(n2C2(N=C(C(=N2)c2ccccc2)c2ccccc2)c2c(Cl)c(Cl)cc(Cl)c2)c2ccccc2)c2ccccc2)cc(Cl)cc1Cl.c1ccccc1.c1ccccc1
• Title of publication: Formation of hexaarylbiimidazole heterodimers via the cross recombination of two lophyl radicals
• Authors of publication: Kimoto, Atsushi; Niitsu, Shimpei; Iwahori, Fumiyasu; Abe, Jiro
• Journal of publication: New Journal of Chemistry
• Year of publication: 2009
• Journal volume: 33
• Journal issue: 6
• Pages of publication: 1339
• a: 17.8938 ± 0.0004 Å
• b: 14.1917 ± 0.0003 Å
• c: 18.1886 ± 0.0003 Å
• α: 90°
• β: 97.616 ± 0.001°
• γ: 90°
• Cell volume: 4578.13 ± 0.16 ų
• Cell temperature: 103 K
• Ambient diffraction temperature: 103 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No