Information card for entry 7240803

Structure parameters

• Formula: C28 H21 N3 O7 Zn
• Calculated formula: C28 H21 N3 O7 Zn
• Title of publication: Effect of electron-withdrawing moieties on mechanochromism of phenothiazine derivatives
• Authors of publication: Xue, Peng Chong; Han, Yanning; Zhang, Tong; Huo, Jianzhong
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 9.6034 ± 0.0019 Å
• b: 16.434 ± 0.003 Å
• c: 15.873 ± 0.003 Å
• α: 90°
• β: 97.27 ± 0.03°
• γ: 90°
• Cell volume: 2485 ± 0.8 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113.15 K
• Number of distinct elements: 5
• 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: 0.0749
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No