Information card for entry 7058374

Structure parameters

• Formula: C20 H20.5 N0.5 O2
• Calculated formula: C18 H20 N2 O2
• Title of publication: Optically active and photoswitchable Tröger's base analogs
• Authors of publication: Kazem-Rostami, Masoud
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 20
• Pages of publication: 7751
• a: 8.3185 ± 0.0006 Å
• b: 9.3562 ± 0.0007 Å
• c: 11.345 ± 0.0008 Å
• α: 84.54 ± 0.004°
• β: 69.51 ± 0.004°
• γ: 68.012 ± 0.004°
• Cell volume: 766.3 ± 0.1 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0903
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1811
• Weighted residual factors for all reflections included in the refinement: 0.2121
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No