Information card for entry 2208718

Structure parameters

• Chemical name: N,N,N'-Triacetyl-2,6-diamino-4-t-butylanisole
• Formula: C17 H24 N2 O4
• Calculated formula: C17 H24 N2 O4
• SMILES: COc1c(NC(=O)C)cc(cc1N(C(=O)C)C(=O)C)C(C)(C)C
• Title of publication: <i>N</i>,<i>N</i>,<i>N</i>'-Triacetyl-2,6-diamino-4-<i>tert</i>-butylanisole
• Authors of publication: Polson, Matthew I. J.; Steel, Peter J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o1300 - o1301
• a: 9.9409 ± 0.0006 Å
• b: 20.9722 ± 0.0014 Å
• c: 8.4392 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1759.4 ± 0.2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes