Information card for entry 4133415

Structure parameters

• Formula: C30.5 H19 Cl
• Calculated formula: C30.5 H19 Cl
• Title of publication: Direct Synthesis of Crystalline Graphdiyne Analogue Based on Supramolecular Interactions.
• Authors of publication: Zhou, Weixiang; Shen, Han; Wu, Chenyu; Tu, Zeyi; He, Feng; Gu, Yanan; Xue, Yurui; Zhao, Yingjie; Yi, Yuanping; Li, Yongjun; Li, Yuliang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 1
• Pages of publication: 48 - 52
• a: 20.962 ± 0.004 Å
• b: 12.826 ± 0.003 Å
• c: 18.178 ± 0.004 Å
• α: 90°
• β: 110.79 ± 0.03°
• γ: 90°
• Cell volume: 4569.1 ± 1.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 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: 0.0736
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1465
• Weighted residual factors for all reflections included in the refinement: 0.1496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No