Information card for entry 2012809

Structure parameters

• Chemical name: 2,4,6-Trimethylphenyl isocyanide
• Formula: C10 H11 N
• Calculated formula: C10 H11 N
• Title of publication: 2,4,6-Trimethylphenyl isocyanide
• Authors of publication: Fernandes, Manuel A.; Layh, Marcus; Omondi, Bernard
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 7
• Pages of publication: o384 - o385
• a: 15.721 ± 0.0019 Å
• b: 6.8582 ± 0.0008 Å
• c: 8.2338 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 887.75 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.121
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 0.913
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes