Information card for entry 1572465

Structure parameters

• Formula: C30 H28 O4
• Calculated formula: C30 H28 O4
• Title of publication: Mechanochemical generation of aryne.
• Authors of publication: Cheng, Qianqian; De Bo, Guillaume
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 33
• Pages of publication: 13181 - 13184
• a: 23.5231 ± 0.0019 Å
• b: 8.2852 ± 0.0007 Å
• c: 24.9724 ± 0.0019 Å
• α: 90°
• β: 105.323 ± 0.008°
• γ: 90°
• Cell volume: 4693.9 ± 0.7 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 3
• 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: 0.1398
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.1605
• Weighted residual factors for all reflections included in the refinement: 0.2012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No