Information card for entry 7237011

Structure parameters

• Formula: C40 H30 N2 O4 Si
• Calculated formula: C40 H30 N2 O4 Si
• Title of publication: Spirobi[dibenzo[b,e][1,4]azasiline]: a novel platform for host materials in highly efficient organic light-emitting diodes
• Authors of publication: Liu, Xiang-Yang; Tang, Xun; Zhao, Yue; Zhao, Danli; Fan, Jian; Liao, Liang-Sheng
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 5
• Pages of publication: 1023
• a: 10.8378 ± 0.0005 Å
• b: 18.1918 ± 0.0008 Å
• c: 32.1777 ± 0.0015 Å
• α: 90°
• β: 99.237 ± 0.002°
• γ: 90°
• Cell volume: 6261.9 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1575
• Residual factor for significantly intense reflections: 0.0863
• Weighted residual factors for significantly intense reflections: 0.1594
• Weighted residual factors for all reflections included in the refinement: 0.1897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No