Information card for entry 7213306

Structure parameters

• Formula: C25 H28 N2 O4
• Calculated formula: C25 H28 N2 O4
• SMILES: O(C(=O)/C=C(/N1CCN=C1CCc1c(c2ccccc2)cccc1)C(=O)OCC)CC
• Title of publication: Synthesis of imidazo[1,2-a]pyridines from unactivated 2-alkyl-4,5-dihydroimidazoles through conjugate N-addition
• Authors of publication: Jones, Raymond C. F.; Dimopoulos, Paschalis; Coles, Simon C.; Light, Mark E.; Hursthouse, Michael B.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2000
• Journal issue: 15
• Pages of publication: 2331
• a: 11.0117 ± 0.0005 Å
• b: 10.6661 ± 0.0008 Å
• c: 12.2753 ± 0.0009 Å
• α: 65.331 ± 0.003°
• β: 65.329 ± 0.004°
• γ: 62.908 ± 0.003°
• Cell volume: 1119.42 ± 0.13 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1396
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1373
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No