Information card for entry 7123128

Structure parameters

• Formula: C26 H26 N2 O
• Calculated formula: C26 H26 N2 O
• Title of publication: 2,7-Diazabicyclo[2.2.1]heptanes: Novel Asymmetric Access and Controlled Bridge-Opening
• Authors of publication: Simpkins, N. S.; Peczkowski, Gary R.; Craven, Philip; Stead, Darren
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 9.9803 ± 0.0005 Å
• b: 10.7055 ± 0.0005 Å
• c: 11.077 ± 0.0007 Å
• α: 76.953 ± 0.005°
• β: 64.44 ± 0.006°
• γ: 72.474 ± 0.004°
• Cell volume: 1011.79 ± 0.11 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No