Information card for entry 7227605

Structure parameters

• Formula: C40 H46 N2 O2
• Calculated formula: C40 H46 N2 O2
• Title of publication: New quinacridone derivatives with π-extended conjugation in central core
• Authors of publication: Kurzep, Piotr; Skórka, Łukasz; Zagorska, Malgorzata; Guńka, Piotr A.; Banasiewicz, Marzena; Kozankiewicz, Bolesław; Kulszewicz-Bajer, Irena
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 14
• Pages of publication: 8627
• a: 12.6799 ± 0.0005 Å
• b: 8.8317 ± 0.0003 Å
• c: 15.5666 ± 0.0006 Å
• α: 90°
• β: 109.439 ± 0.004°
• γ: 90°
• Cell volume: 1643.86 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0677
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1639
• Weighted residual factors for all reflections included in the refinement: 0.1781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No