Information card for entry 1559103

Structure parameters

• Formula: C73.5 H92 N4 O4 Si2
• Calculated formula: C73.5 H92 N4 O4 Si2
• Title of publication: Regiocontrolled Dimerization of Asymmetric Diazaheptacene Derivatives Toward X-shaped Porous Semiconductors
• Authors of publication: Zhang , Guowei; Zhang, Lei; Lv, Aifeng; Yang, Xingzhou; Zheng, Yonghao; Gu, Wen; Xue, Ning
• Journal of publication: Chemical Science
• Year of publication: 2020
• a: 12.4231 ± 0.0004 Å
• b: 13.9327 ± 0.0005 Å
• c: 21.1782 ± 0.0007 Å
• α: 96.811 ± 0.003°
• β: 101.236 ± 0.003°
• γ: 108.67 ± 0.003°
• Cell volume: 3341 ± 0.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1201
• Residual factor for significantly intense reflections: 0.0818
• Weighted residual factors for significantly intense reflections: 0.22
• Weighted residual factors for all reflections included in the refinement: 0.2446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No