Information card for entry 7226936

Structure parameters

• Formula: C18 H22 N4 O2
• Calculated formula: C18 H22 N4 O2
• SMILES: N12C(=O)C=C(C1(c1nccn1C(=C)C2)C(=O)NC1CCCCC1)C
• Title of publication: Synthesis of novel imidazole-based triheterocycles via a domino Ugi/Michael reaction and silver-catalyzed heteroannulation
• Authors of publication: Li, Zhenghua; zhao, yaping; Tian, Guilong; He, Yi; Song, Gonghua; Van Meervelt, Luc; Van der Eycken, Erik V�lery
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 14.5377 ± 0.0009 Å
• b: 14.391 ± 0.0008 Å
• c: 17.5761 ± 0.0015 Å
• α: 90°
• β: 106.774 ± 0.008°
• γ: 90°
• Cell volume: 3520.7 ± 0.4 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No