Information card for entry 2202647

Structure parameters

• Common name: 1,4-bisisocyano-2,3,5,6-tetramethyl benzene
• Chemical name: 1,4-bisisocyano-2,3,5,6-tetramethyl benzene
• Formula: C12 H12 N2
• Calculated formula: C12 H12 N2
• Title of publication: <i>p</i>-Diisocyanotetramethylbenzene
• Authors of publication: Zeller, Matthias; Hunter, Allen D.; Perrine, Cynthia L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 11
• Pages of publication: o1655 - o1656
• a: 17.1518 ± 0.0017 Å
• b: 5.1324 ± 0.0005 Å
• c: 12.367 ± 0.0012 Å
• α: 90°
• β: 112.01 ± 0.002°
• γ: 90°
• Cell volume: 1009.32 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0475
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.1312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No