Information card for entry 7250856

Structure parameters

• Formula: C36 H31 B N2
• Calculated formula: C36 H31 B N2
• Title of publication: Dynamic pedal motion and thermal expansion in an ionic co-crystal with 1,2-bis(4-pyridyl) ethylene
• Authors of publication: Zhang, Yuchen; Jiao, Yijia; Guo, Yan; Cen, Peipei; Zhang, Zhenyi; Liu, Xiangyu
• Journal of publication: RSC Advances
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 40
• Pages of publication: 33531 - 33535
• a: 11.4237 ± 0.0012 Å
• b: 10.4916 ± 0.0012 Å
• c: 23.34 ± 0.003 Å
• α: 90°
• β: 101.622 ± 0.008°
• γ: 90°
• Cell volume: 2740 ± 0.6 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 K
• Number of distinct elements: 4
• 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: 0.1315
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1662
• Weighted residual factors for all reflections included in the refinement: 0.2358
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No