Information card for entry 7239952

Structure parameters

• Common name: (E)-N-(2,3-dihydro-1H-inden-2-yl)-1(p-tolyl)methanimine
• Formula: C17 H17 N
• Calculated formula: C17 H17 N
• SMILES: C(=N\C1Cc2ccccc2C1)/c1ccc(C)cc1
• Title of publication: A dual biomimetic process for the selective aerobic oxidative coupling of primary amines using pyrogallol as a precatalyst. Isolation of the [5 + 2] cycloaddition redox intermediates
• Authors of publication: Largeron, Martine; Deschamps, Patrick; Hammad, Karim; Fleury, Maurice-Bernard
• Journal of publication: Green Chemistry
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 6
• Pages of publication: 1894 - 1905
• a: 5.6742 ± 0.0002 Å
• b: 8.7921 ± 0.0004 Å
• c: 13.5713 ± 0.0005 Å
• α: 103.259 ± 0.001°
• β: 95.099 ± 0.001°
• γ: 95.624 ± 0.001°
• Cell volume: 651.48 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No