Information card for entry 1556146

Structure parameters

• Formula: C17 H26 N4 O3
• Calculated formula: C17 H26 N4 O3
• Title of publication: Hünlich base: (re)discovery, synthesis, and structure elucidation after a century.
• Authors of publication: Rigol, Stephan; Beyer, Lothar; Hennig, Lothar; Sieler, Joachim; Giannis, Athanassios
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 6
• Pages of publication: 1418 - 1420
• a: 14.754 ± 0.003 Å
• b: 22.06 ± 0.004 Å
• c: 5.146 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1674.9 ± 0.6 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 4
• Space group number: 37
• Hermann-Mauguin space group symbol: C c c 2
• Hall space group symbol: C 2 -2c
• Residual factor for all reflections: 0.0829
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 0.831
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No