Information card for entry 4026838

Structure parameters

• Formula: C26 H21 Cl N2 O4
• Calculated formula: C26 H21 Cl N2 O4
• SMILES: c1(ccc(cc1)n1c(c(C(=O)c2ccccc2)nc1Oc1ccccc1)CC(=O)OCC)Cl
• Title of publication: Synthesis of 1,2,4,5-Tetrasubstituted Imidazoles by a Sequential Aza-Wittig/Michael/Isomerization Reaction
• Authors of publication: Yi-Bo Nie; Long Wang; Ming-Wu Ding
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 696 - 700
• a: 10.432 ± 0.002 Å
• b: 10.465 ± 0.0019 Å
• c: 11.533 ± 0.002 Å
• α: 90.692 ± 0.004°
• β: 108.767 ± 0.003°
• γ: 106.266 ± 0.004°
• Cell volume: 1137.2 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0856
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No