Information card for entry 7126091

Structure parameters

• Formula: C40 H30 N2
• Calculated formula: C40 H30 N2
• Title of publication: High yielding self-assembly favored by preorganization.
• Authors of publication: Zhang, Chi; Jiao, Tianyu; Tong, Lu; Wang, Hongye; Pan, Yuanjiang; Li, Hao
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 27
• Pages of publication: 3903 - 3906
• a: 13.1968 ± 0.0003 Å
• b: 17.0333 ± 0.0004 Å
• c: 19.6066 ± 0.0005 Å
• α: 90°
• β: 101.946 ± 0.001°
• γ: 90°
• Cell volume: 4311.82 ± 0.18 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170.01 K
• Number of distinct elements: 3
• 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: 0.1305
• Residual factor for significantly intense reflections: 0.0778
• Weighted residual factors for significantly intense reflections: 0.1864
• Weighted residual factors for all reflections included in the refinement: 0.2185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No