Information card for entry 7212979

Structure parameters

• Formula: C29 H24 N4 O2
• Calculated formula: C29 H24 N4 O2
• SMILES: n1(c(n(=O)c(c1)c1ccccc1)/N=C(Nc1ccccc1)/c1ccccc1)c1ccc(OC)cc1
• Title of publication: Highly regioselective nucleophilic/cycloaddition reactions of N-arylamino 1,3-diazabuta-1,3-dienes with α-nitrosostyrenes: synthesis of functionalised imidazoles and imidazole oxides
• Authors of publication: Sharma, Arun K.; Hundal, Geeta; Obrai, Sangeeta; Mahajan, Mohinder P.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 1999
• Journal issue: 5
• Pages of publication: 615
• a: 12.295 ± 0.001 Å
• b: 9.554 ± 0.001 Å
• c: 20.636 ± 0.002 Å
• α: 90°
• β: 99.7 ± 0.01°
• γ: 90°
• Cell volume: 2389.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0693
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for all reflections: 0.1454
• Weighted residual factors for significantly intense reflections: 0.1122
• Goodness-of-fit parameter for all reflections: 1.14
• Goodness-of-fit parameter for significantly intense reflections: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No