Information card for entry 7245192

Structure parameters

• Formula: C29 H21 N3 O
• Calculated formula: C29 H21 N3 O
• SMILES: O=C1n2c(N(c3c1cccc3)c1ccc(C)cc1)c(nc2c1ccccc1)c1ccccc1
• Title of publication: Metal/catalyst-free sequential C–N bond forming cascades at room temperature: environment-friendly one-pot synthesis of 5-aminoimidazoles from aryl glyoxals, anilines, and amidines
• Authors of publication: Jalani, Hitesh B.; Sivaraman, Aneesh; Min, Kyoung ho; Lee, Hwa Young; Oh, Na Kyoung; Kang, Hyeseul; Keum, Gyochang; Choi, Yongseok; Lee, Kyeong
• Journal of publication: Green Chemistry
• Year of publication: 2022
• Journal volume: 24
• Journal issue: 17
• Pages of publication: 6501 - 6510
• a: 9.3505 ± 0.001 Å
• b: 10.5661 ± 0.0014 Å
• c: 11.8126 ± 0.0013 Å
• α: 79.178 ± 0.004°
• β: 74.762 ± 0.003°
• γ: 80.249 ± 0.004°
• Cell volume: 1097.1 ± 0.2 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0593
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.1444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No