Information card for entry 7203186

Structure parameters

• Formula: C16 H16 N2
• Calculated formula: C16 H16 N2
• SMILES: n1(Cc2c(cccc2)Cn2cccc2)cccc1
• 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: 5.815 ± 0.003 Å
• b: 8.493 ± 0.003 Å
• c: 27.344 ± 0.004 Å
• α: 90°
• β: 90.48 ± 0.03°
• γ: 90°
• Cell volume: 1350.4 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1762
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1436
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No