Information card for entry 7201989

Structure parameters

• Formula: C45 H54 N2
• Calculated formula: C45 H54 N2
• Title of publication: Synthesis, structure and packing properties of three Tröger's base analogues containing substituted fluorene units
• Authors of publication: Xin, Qian; Tao, Xu-Tang; Liu, Hui-Jun; Ren, Yan; Jiang, Min-Hua
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 9
• Pages of publication: 1204
• a: 26.6964 ± 0.0005 Å
• b: 8.989 ± 0.0002 Å
• c: 15.7756 ± 0.0003 Å
• α: 90°
• β: 105.338 ± 0.001°
• γ: 90°
• Cell volume: 3650.89 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0706
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1388
• Weighted residual factors for all reflections included in the refinement: 0.1557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No