Information card for entry 7112186

Structure parameters

• Formula: C39 H23 Cl3 N2
• Calculated formula: C39 H23 Cl3 N2
• SMILES: ClC(Cl)Cl.n1c2c(c(C3=C(c4cccc5cccc3c45)c3c4ccccc4nc4ccccc34)c3c1cccc3)cccc2
• 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: 21.8437 ± 0.0016 Å
• b: 13.9673 ± 0.0009 Å
• c: 9.6149 ± 0.0011 Å
• α: 90°
• β: 94.127 ± 0.004°
• γ: 90°
• Cell volume: 2925.9 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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 significantly intense reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.1707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No