Information card for entry 7123194

Structure parameters

• Formula: C24 H24 N2 O2
• Calculated formula: C24 H24 N2 O2
• Title of publication: Visible responses under high pressure: phenolphthalein crystals and its analogues with adjustable ring-opening threshold pressures
• Authors of publication: Deng, Xinyuan; Guo, Hongwei; Meng, Xiao; Wang, Kai; Zou, Bo; Ma, Yuguo
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 7.8706 ± 0.0016 Å
• b: 21.886 ± 0.005 Å
• c: 11.121 ± 0.003 Å
• α: 90°
• β: 97.56 ± 0.019°
• γ: 90°
• Cell volume: 1899 ± 0.8 ų
• Cell temperature: 180.01 ± 0.1 K
• Ambient diffraction temperature: 180.01 ± 0.1 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: 0.1161
• Residual factor for significantly intense reflections: 0.0806
• Weighted residual factors for significantly intense reflections: 0.1949
• Weighted residual factors for all reflections included in the refinement: 0.2352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No