Information card for entry 7135771

Structure parameters

• Formula: C32 H25 N
• Calculated formula: C32 H25 N
• Title of publication: Mechanochemical NH₄Cl-mediated hydrogen-bonding network reconstruction of HFIP: enabling yne-allylic substitutions.
• Authors of publication: Yang, Qianzhi; Kong, Xuguang; Liu, Xin; Liu, Qixing; Zuo, Linhong; Zhou, Haifeng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2026
• Journal volume: 62
• Journal issue: 40
• Pages of publication: 10244 - 10248
• a: 10.2035 ± 0.0006 Å
• b: 10.3335 ± 0.0008 Å
• c: 11.6404 ± 0.0008 Å
• α: 94.054 ± 0.006°
• β: 105.675 ± 0.005°
• γ: 95.557 ± 0.005°
• Cell volume: 1170.12 ± 0.14 ų
• Cell temperature: 149.95 ± 0.1 K
• Ambient diffraction temperature: 149.95 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1775
• Weighted residual factors for all reflections included in the refinement: 0.1856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No