Information card for entry 1551794

Structure parameters

• Formula: C21 H31 N3 O
• Calculated formula: C21 H31 N3 O
• SMILES: N(=C\c1c(O)c(cc(c1)C(C)(C)C)C(C)(C)C)/CCCn1cncc1
• Title of publication: Crystal and Molecular Structure of N-[1-(3-Aminopropyl)imidazole]-3,5-di-t-butylsalicylaldimine
• Authors of publication: ÇELIK, Ömer; TAS, Esref; IDE, Semra; ULUSOY, Mahmut
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2009
• Journal volume: 25
• Pages of publication: 75
• a: 9.2609 ± 0.0008 Å
• b: 22.665 ± 0.002 Å
• c: 10.0975 ± 0.0008 Å
• α: 90 ± 0.007°
• β: 100.4 ± 0.007°
• γ: 90 ± 0.007°
• Cell volume: 2084.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.2389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No