Information card for entry 4517973

Structure parameters

• Formula: C16 H25 N O2
• Calculated formula: C16 H25 N O2
• Title of publication: Imine-Based Catechols and o-Benzoquinones: Synthesis, Structure, and Features of Redox Behavior
• Authors of publication: Astaf’eva, Tatiana V.; Arsenyev, Maxim V.; Rumyantcev, Roman V.; Fukin, Georgy K.; Cherkasov, Vladimir K.; Poddel’sky, Andrey I.
• Journal of publication: ACS Omega
• Year of publication: 2020
• a: 12.2427 ± 0.0009 Å
• b: 13.5652 ± 0.001 Å
• c: 17.6056 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2923.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0632
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No