Information card for entry 7120653

Structure parameters

• Formula: C34.5 H19 Cl F2 O2
• Calculated formula: C34.5 H19 Cl F2 O2
• Title of publication: TPZ, a bright centrosymmetric two-photon scaffold for bioimaging
• Authors of publication: Lei, Zuhai; Yue, Ping; Wang, Xueli; Li, Xinran; Li, Yi; He, Haihong; Luo, Xiao; Meng, Xiangming; Chen, Jinquan; Qian, Xu Hong; Yang, Youjun C.
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 11.558 ± 0.003 Å
• b: 16.573 ± 0.005 Å
• c: 13.868 ± 0.004 Å
• α: 90°
• β: 109.866 ± 0.005°
• γ: 90°
• Cell volume: 2498.3 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.1182
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1358
• Weighted residual factors for all reflections included in the refinement: 0.176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No