Information card for entry 4512594

Structure parameters

• Formula: C98 H96 F36 N8 O16 P6
• Calculated formula: C98 H96 F36 N8 O16 P6
• Title of publication: Anticancer activity expressed by a library of 2,9-diazaperopyrenium dications.
• Authors of publication: Hartlieb, Karel J.; Witus, Leah S.; Ferris, Daniel P.; Basuray, Ashish N.; Algaradah, Mohammed M.; Sarjeant, Amy A.; Stern, Charlotte L.; Nassar, Majed S.; Botros, Youssry Y.; Stoddart, J. Fraser
• Journal of publication: ACS nano
• Year of publication: 2015
• Journal volume: 9
• Journal issue: 2
• Pages of publication: 1461 - 1470
• a: 35.4484 ± 0.0013 Å
• b: 10.5194 ± 0.0004 Å
• c: 29.0669 ± 0.001 Å
• α: 90°
• β: 109.864 ± 0.002°
• γ: 90°
• Cell volume: 10194 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.99 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0836
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.1825
• Weighted residual factors for all reflections included in the refinement: 0.1959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No