Information card for entry 4029707

Structure parameters

• Formula: C16 H20 N4 O2
• Calculated formula: C18 H22 N4 O4
• Title of publication: Amino-substituted diazocines as pincer-type photochromic switches.
• Authors of publication: Sell, Hanno; Näther, Christian; Herges, Rainer
• Journal of publication: Beilstein journal of organic chemistry
• Year of publication: 2013
• Journal volume: 9
• Pages of publication: 1 - 7
• a: 5.1513 ± 0.0007 Å
• b: 25.835 ± 0.003 Å
• c: 6.7094 ± 0.001 Å
• α: 90°
• β: 99.501 ± 0.017°
• γ: 90°
• Cell volume: 880.7 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 8
• Hermann-Mauguin space group symbol: C 1 m 1
• Hall space group symbol: C -2y
• Residual factor for all reflections: 0.0864
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No