Information card for entry 4127631

Structure parameters

• Formula: C96 H110 N10 O8
• Calculated formula: C96 H110 N10 O8
• Title of publication: Molecular Cursor Caliper: A Fluorescent Sensor for Dicarboxylate Dianions.
• Authors of publication: Chen, Wei; Guo, Chenxing; He, Qing; Chi, Xiaodong; Lynch, Vincent M.; Zhang, Zhiyun; Su, Jianhua; Tian, He; Sessler, Jonathan L.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 37
• Pages of publication: 14798 - 14806
• a: 10.2435 ± 0.0006 Å
• b: 20.2635 ± 0.0012 Å
• c: 21.1965 ± 0.0011 Å
• α: 107.827 ± 0.005°
• β: 90.675 ± 0.005°
• γ: 97.043 ± 0.005°
• Cell volume: 4151.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1822
• Residual factor for significantly intense reflections: 0.098
• Weighted residual factors for significantly intense reflections: 0.2445
• Weighted residual factors for all reflections included in the refinement: 0.3215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No