Information card for entry 7234267

Structure parameters

• Formula: C29 H27 N O3 S
• Calculated formula: C29 H27 N O3 S
• Title of publication: Tunable two-photon absorption near-infrared materials containing different electron-donors and a pi-bridge center with applications in bioimaging in live cells
• Authors of publication: Ming Kong; Ting Wang; Xiaohe Tian; Fang Wang; Yanqiu Liu; Qiong Zhang; Hui Wang; Hongping Zhou; Jieying Wu; Yupeng Tian
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2015
• Journal volume: 3
• Pages of publication: 5580 - 5588
• a: 12.232 ± 0.005 Å
• b: 24.846 ± 0.005 Å
• c: 16.81 ± 0.005 Å
• α: 90 ± 0.005°
• β: 100.355 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 5026 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.1603
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1613
• Weighted residual factors for all reflections included in the refinement: 0.2159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No