Information card for entry 4127629

Structure parameters

• Formula: C33 H22 N2 O
• Calculated formula: C33 H22 N2 O
• SMILES: N1(c2c(N(c3ccccc3)c3c1c1c(c4c3cccc4)cccc1)cccc2)c1ccc(cc1)C=O
• 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: 10.04 ± 0.003 Å
• b: 15.297 ± 0.004 Å
• c: 16.237 ± 0.005 Å
• α: 105.151 ± 0.005°
• β: 98.504 ± 0.006°
• γ: 96.468 ± 0.005°
• Cell volume: 2350.5 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.1695
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1661
• Weighted residual factors for all reflections included in the refinement: 0.2225
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No