Information card for entry 7063913

Structure parameters

• Chemical name: (Z)-2-((6-methoxy-2-phenyl-2H-chromen-3-yl)methylene)-N-phenylhydrazine-1-carbothioamide
• Formula: C48 H42 N6 O4 S2
• Calculated formula: C48 H42 N6 O4 S2
• Title of publication: A novel benzopyran-based fluorescent sensor for the selective detection of Hg2+ ions
• Authors of publication: Sa, Min; Wang, Jin; Li, Jiajia; Li, Xiaojuan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 33
• Pages of publication: 14487 - 14493
• a: 6.6713 ± 0.0002 Å
• b: 11.1427 ± 0.0003 Å
• c: 14.3771 ± 0.0003 Å
• α: 98.336 ± 0.001°
• β: 100.639 ± 0.001°
• γ: 94.362 ± 0.001°
• Cell volume: 1033.45 ± 0.05 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No