Information card for entry 7234264

Structure parameters

• Formula: C16 H19 N O S
• Calculated formula: C16 H19 N S
• SMILES: s1c(ccc1)/C=C/c1ccc(N(CC)CC)cc1
• 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: 7.698 ± 0.005 Å
• b: 9.598 ± 0.005 Å
• c: 20.109 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1485.8 ± 1.3 ų
• Cell temperature: 327 ± 2 K
• Ambient diffraction temperature: 327 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1409
• Weighted residual factors for all reflections included in the refinement: 0.1443
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No