Information card for entry 4512596

Structure parameters

• Formula: C52 H52 F12 N4 P2
• Calculated formula: C52 H52 F12 N4 P2
• 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: 11.4221 ± 0.0004 Å
• b: 13.2531 ± 0.0004 Å
• c: 15.8643 ± 0.0005 Å
• α: 90°
• β: 99.1783 ± 0.0014°
• γ: 90°
• Cell volume: 2370.76 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 5
• 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: 0.0614
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1453
• Weighted residual factors for all reflections included in the refinement: 0.1624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No