Information card for entry 7243724

Structure parameters

• Chemical name: (E)-2H,2'H-[1,1'-biacenaphthylenylidene]-2,2'-dione
• Formula: C24 H12 O2
• Calculated formula: C24 H12 O2
• Title of publication: Halogen bonding vs. π-stacking interactions in new bis(acenaphthylene)dione semiconductors
• Authors of publication: Liu, Ying-Hsuan; Dadvand, Afshin; Titi, Hatem M.; Hamzehpoor, Ehsan; Perepichka, Dmitrii F.
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 47
• Pages of publication: 8255 - 8259
• a: 3.8029 ± 0.0003 Å
• b: 13.8237 ± 0.001 Å
• c: 14.1694 ± 0.001 Å
• α: 90°
• β: 94.395 ± 0.005°
• γ: 90°
• Cell volume: 742.7 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• 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: 0.075
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No