Information card for entry 4038358

Structure parameters

• Formula: C22 H23 N7 O11
• Calculated formula: C22 H23 N7 O11
• Title of publication: Synthesis and Applications of the C2-Symmetrical Diamine, 2,7-diazabicyclo[4.4.1]undecane.
• Authors of publication: Higgins, Tyler; Winkler, Jeffrey D.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 17.7611 ± 0.0012 Å
• b: 6.7132 ± 0.0004 Å
• c: 21.4546 ± 0.0014 Å
• α: 90°
• β: 108.886 ± 0.002°
• γ: 90°
• Cell volume: 2420.4 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0664
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1456
• Weighted residual factors for all reflections included in the refinement: 0.1561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No