Information card for entry 7123195

Structure parameters

• Formula: C20 H14 O2
• Calculated formula: C20 H14 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: 8.4905 ± 0.0006 Å
• b: 17.1536 ± 0.0011 Å
• c: 10.3607 ± 0.0006 Å
• α: 90°
• β: 100.649 ± 0.006°
• γ: 90°
• Cell volume: 1482.97 ± 0.17 ų
• Cell temperature: 180.01 ± 0.1 K
• Ambient diffraction temperature: 180.01 ± 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: 0.0739
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No