Information card for entry 7037458

Structure parameters

• Formula: C42 H39 N
• Calculated formula: C42 H39 N
• SMILES: [N+](CC)(CC)(CC)Cc1ccccc1.[cH-]1c2c(c3c1c1ccccc1c1ccccc31)c1ccccc1c1ccccc21
• Title of publication: Remarkable stability of tetrabenzo[a,c,g,i]fluorenyl ammonium salts in water: syntheses, reactions, and crystal structures.
• Authors of publication: Frey, Okko N.; Stalling, Timo; Schlüter, Florian; Saak, Wolfgang; Schmidtmann, Marc; Haase, Detlev; Beckhaus, Rüdiger
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 3
• Pages of publication: 1085 - 1092
• a: 17.3662 ± 0.0005 Å
• b: 17.7466 ± 0.0006 Å
• c: 19.2509 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5933 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No