Information card for entry 7218588

Structure parameters

• Formula: C19 H12 N2 S
• Calculated formula: C19 H12 N2 S
• SMILES: s1cc(nc1N)c1c2ccc3cccc4c3c2c(cc4)cc1
• Title of publication: Pyrene thiazole-conjugate as ratiometric chemosensor with high selectivity and sensitivity for tin (Sn4+) and its application in imaging live cells
• Authors of publication: Mahapatra, Ajit Kumar; Mondal, Sanchita; Maiti, Kalipada; Manna, Saikat Kumar; Maji, Rajkishor; Mandal, Debasish; Mandal, Sukhendu; Goswami, Shyamaprosad Kumar; Quah, Ching Kheng; Fun, Hoong Kun
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 10.2235 ± 0.0009 Å
• b: 12.4997 ± 0.0011 Å
• c: 11.191 ± 0.001 Å
• α: 90°
• β: 100.662 ± 0.0015°
• γ: 90°
• Cell volume: 1405.4 ± 0.2 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 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: 0.0465
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No