Information card for entry 7156438

Structure parameters

• Formula: C31 H26 N2 O4
• Calculated formula: C31 H26 N2 O4
• Title of publication: Synthesis of near-infrared fluorescent rhodamines via an S_NAr^H reaction and their biological applications.
• Authors of publication: Wang, Qing; Huang, Kun; Cai, Songtao; Liu, Chang; Jiao, Xiaojie; He, Song; Zhao, Liancheng; Zeng, Xianshun
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 39
• Pages of publication: 7163 - 7169
• a: 16.19 ± 0.002 Å
• b: 19.621 ± 0.003 Å
• c: 8.6624 ± 0.0015 Å
• α: 90°
• β: 95.873 ± 0.013°
• γ: 90°
• Cell volume: 2737.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1093
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1378
• Weighted residual factors for all reflections included in the refinement: 0.1599
• Goodness-of-fit parameter for all reflections included in the refinement: 0.918
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No