Information card for entry 8107240

Structure parameters

• Formula: C60 H54 Cl N11 O2
• Calculated formula: C60 H54 Cl N11 O2
• Title of publication: Crystal structure of N-((Z)-amino(((E)-amino(phenylamino)methylene) amino)methylene)benzenaminium chloride – benzo[f]isoquinolino[3,4-b][1,8]naphthyridine – tetrahydrofurane (1/2/2), C60H54ClN11O2
• Authors of publication: Zhou, Ruixue; Yan, Tianhao; Wang, Hongbo; Zhang, Haifei; Ding, Lifeng; Wang, Ruiyao
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 5
• Pages of publication: 873 - 876
• a: 9.6795 ± 0.001 Å
• b: 14.8391 ± 0.0012 Å
• c: 18.0298 ± 0.0014 Å
• α: 90.71 ± 0.003°
• β: 92.506 ± 0.003°
• γ: 96.274 ± 0.003°
• Cell volume: 2571.4 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1992
• Residual factor for significantly intense reflections: 0.0856
• Weighted residual factors for significantly intense reflections: 0.1871
• Weighted residual factors for all reflections included in the refinement: 0.2386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No