Information card for entry 7112188

Structure parameters

• Formula: C42 H30 F6 N2 O6 S2
• Calculated formula: C44 H31 F6 N3 O6 S2
• SMILES: S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.[n+]1(c2c(c(C3=C(c4cccc5cccc3c45)c3c4ccccc4[n+](c4ccccc34)C)c3c1cccc3)cccc2)C.N#CC
• Title of publication: Preparation and structure of acenaphthylene-1,2-diyldi(9-acridine) derivatives with a long C[double bond, length as m-dash]C bond
• Authors of publication: Takashi Takeda; Yasuto Uchimura; Hidetoshi Kawai; Ryo Katoono; Kenshu Fujiwara; Takanori Suzuki
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 3924
• a: 12.972 ± 0.003 Å
• b: 13.438 ± 0.003 Å
• c: 13.49 ± 0.003 Å
• α: 67.715 ± 0.013°
• β: 67.1 ± 0.012°
• γ: 82.254 ± 0.015°
• Cell volume: 2004.2 ± 0.8 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.1529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No