Information card for entry 7248110

Structure parameters

• Formula: C23 H17 N3 S
• Calculated formula: C23 H17 N3 S
• SMILES: S1c2c(N(c3c1cccc3)CC=C)ccc(c2)/C=C(c1ncccc1)\C#N
• Title of publication: A phenothiazine-functionalized pyridine-based AIEE-active molecule: a versatile molecular probe for highly sensitive detection of hypochlorite and picric acid
• Authors of publication: Vinayagam, Dhandapani; Subramanian, Karpagam
• Journal of publication: RSC Advances
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 8
• Pages of publication: 5149 - 5158
• a: 9.3292 ± 0.0016 Å
• b: 14.298 ± 0.002 Å
• c: 14.191 ± 0.003 Å
• α: 90°
• β: 96.46 ± 0.006°
• γ: 90°
• Cell volume: 1880.9 ± 0.6 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 4
• 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: 0.1149
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No