Information card for entry 2007976

Structure parameters

• Chemical name: Tetracyano-p-xylene
• Formula: C12 H6 N4
• Calculated formula: C12 H6 N4
• SMILES: N#CC(c1ccc(cc1)C(C#N)C#N)C#N
• Title of publication: Tetracyano-<i>p</i>-xylene
• Authors of publication: Arena, Antonella; Bruno, Giuseppe; Panzalorto, Manuela; Patané, Salvatore; Saitta, Gaetano; Scopelliti, Rosario
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 12
• Pages of publication: 2003 - 2005
• a: 18.4255 ± 0.0016 Å
• b: 7.2396 ± 0.0006 Å
• c: 7.6466 ± 0.0005 Å
• α: 90°
• β: 101.126 ± 0.006°
• γ: 90°
• Cell volume: 1000.83 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for all reflections: 0.1069
• Weighted residual factors for significantly intense reflections: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No