Information card for entry 7203188

Structure parameters

• Formula: C16 H16 N2
• Calculated formula: C16 H16 N2
• 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: 14.7475 ± 0.0013 Å
• b: 5.6746 ± 0.0004 Å
• c: 16.6394 ± 0.0014 Å
• α: 90°
• β: 113.98 ± 0.007°
• γ: 90°
• Cell volume: 1272.3 ± 0.19 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: 0.0728
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No