Information card for entry 7203185

Structure parameters

• Formula: C26 H26 N4
• Calculated formula: C26 H26 N4
• SMILES: c1(c(cc(c(c1)Cn1cccc1)Cn1cccc1)Cn1cccc1)Cn1cccc1
• Title of publication: Synthesis and solid state structure for a series of poly(1-pyrrolylmethyl)benzene derivatives. Control of the interplaying π‒π and C‒Hπ interactions?
• Authors of publication: José Giner Planas; Carles Masalles; Reijo Sillanpää; Raikko Kivekäs; Francesc Teixidor; Clara Viñas
• Journal of publication: CrystEngComm
• Year of publication: 2006
• Pages of publication: 75 - 83
• a: 5.747 ± 0.0006 Å
• b: 15.511 ± 0.002 Å
• c: 11.798 ± 0.002 Å
• α: 90°
• β: 92.911 ± 0.008°
• γ: 90°
• Cell volume: 1050.3 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0699
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No