Information card for entry 4515352

Structure parameters

• Formula: C22 H19 I N O S
• Calculated formula: C21 H19 I N2 O S
• SMILES: s1c2c([n+](C)c1/C=C/c1cn(CC)c3c1cccc3)cccc2.OC.[I-]
• Title of publication: Cationic Organochalcogen with Monomer/Excimer Emissions for Dual-Color Live Cell Imaging and Cell Damage Diagnosis.
• Authors of publication: Chao, Xi-Juan; Wang, Kang-Nan; Sun, Li-Li; Cao, Qian; Ke, Zhuo-Feng; Cao, Du-Xia; Mao, Zong-Wan
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2018
• Journal volume: 10
• Journal issue: 16
• Pages of publication: 13264 - 13273
• a: 12.2656 ± 0.0005 Å
• b: 7.3671 ± 0.0003 Å
• c: 23.1538 ± 0.0009 Å
• α: 90°
• β: 103.053 ± 0.004°
• γ: 90°
• Cell volume: 2038.16 ± 0.15 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• 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: 0.0674
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1538
• Weighted residual factors for all reflections included in the refinement: 0.1644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No