Information card for entry 2001168

Structure parameters

• Formula: C31 H29 N3 O3 S
• Calculated formula: C31 H29 N3 O3 S
• Title of publication: <i>N</i>,<i>N</i>',<i>N</i>''-Triphenyl-1,3,5-triaminobenzene and its σ complex on protonation: a stable <i>N</i>,<i>N</i>',<i>N</i>''-triphenyl-2,4,6-triaminocyclohexadienylium cation
• Authors of publication: Glatzhofer, D. T.; Khan, M. A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 12
• Pages of publication: 2128 - 2133
• a: 14.469 ± 0.004 Å
• b: 19.264 ± 0.006 Å
• c: 9.814 ± 0.003 Å
• α: 90°
• β: 98.15 ± 0.03°
• γ: 90°
• Cell volume: 2707.8 ± 1.4 ų
• Cell temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.037
• Goodness-of-fit parameter for significantly intense reflections: 1.3
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No