Information card for entry 7240216

Structure parameters

• Formula: C31 H28 N2 O2
• Calculated formula: C31 H28 N2 O2
• Title of publication: Effect of the substituent position on the electrochemical, optical and structural properties of donor-acceptor type acridone derivatives.
• Authors of publication: Kulszewicz-Bajer, Irena; Zagorska, Malgorzata; Banasiewicz, Marzena; Guńka, Piotr A; Toman, Petr; Kozankiewicz, Boleslaw; Wiosna-Salyga, Gabriela; Pron, Adam
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 16
• Pages of publication: 8522 - 8534
• a: 12.0942 ± 0.0009 Å
• b: 14.502 ± 0.0009 Å
• c: 28.554 ± 0.002 Å
• α: 90°
• β: 90.589 ± 0.007°
• γ: 90°
• Cell volume: 5007.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1862
• Residual factor for significantly intense reflections: 0.0883
• Weighted residual factors for significantly intense reflections: 0.2589
• Weighted residual factors for all reflections included in the refinement: 0.3318
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No