Information card for entry 2211371

Structure parameters

• Chemical name: 1,4,N-Tri-tert-butyl-2,5-bis-tert-butylimino-1,2,4,5- tetrahydropyrrolo[3,2-b]pyrrol-3-amine
• Formula: C26 H47 N5
• Calculated formula: C26 H47 N5
• SMILES: N1(C2C(N(C(=NC(C)(C)C)C=2NC(C)(C)C)C(C)(C)C)=CC1=NC(C)(C)C)C(C)(C)C
• Title of publication: 1,4,<i>N</i>-Tri-<i>tert</i>-butyl-2,5-bis-<i>tert</i>-butylimino-1,2,4,5-tetrahydropyrrolo[3,2-<i>b</i>]pyrrol-3-amine
• Authors of publication: Imhof, Wolfgang; Görls, Helmar; Halbauer, Kathi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5866 - o5868
• a: 11.5558 ± 0.0004 Å
• b: 17.9911 ± 0.0009 Å
• c: 12.9268 ± 0.0006 Å
• α: 90°
• β: 93.201 ± 0.003°
• γ: 90°
• Cell volume: 2683.3 ± 0.2 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1263
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes