Information card for entry 7204982

Structure parameters

• Chemical name: N-Benzyl-2,4,6-trimethoxybenzaldimine
• Formula: C17 H19 N O3
• Calculated formula: C17 H19 N O3
• SMILES: c1(c(cc(cc1OC)OC)OC)/C=N/Cc1ccccc1
• Title of publication: Diazoketones as precursors in β-lactam synthesis. New insights into the mechanism of the photochemically induced Staudinger reaction
• Authors of publication: Linder, Michael R.; Frey, Wolfgang U.; Podlech, Joachim
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2001
• Journal issue: 20
• Pages of publication: 2566
• a: 15.917 ± 0.002 Å
• b: 9.1897 ± 0.001 Å
• c: 20.868 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3052.4 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1065
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for all reflections: 0.1406
• Weighted residual factors for significantly intense reflections: 0.1165
• Goodness-of-fit parameter for all reflections: 1.077
• Goodness-of-fit parameter for significantly intense reflections: 1.185
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No