Information card for entry 1549220

Structure parameters

• Formula: C25 H18 N S
• Calculated formula: C25 H18 N S
• SMILES: s1c(c2nc3c(c4c(cccc4)CC3)c3c2c2c(CC3)cccc2)ccc1
• Title of publication: Development of paper-based chemosensor for the detection of mercury ions using mono- and tetra-sulfur bearing phenanthridines
• Authors of publication: Ponram, Marimuthu; Balijapalli, Umamahesh; Sambath, Baskaran; Iyer, Sathiyanarayanan Kulathu; B, Venkatachalapathy; Cingaram, Ravichandran; Natesan Sundaramurthy, Karthikeyan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 11
• Pages of publication: 8530
• a: 9.6247 ± 0.0005 Å
• b: 15.2549 ± 0.0008 Å
• c: 12.526 ± 0.0009 Å
• α: 90°
• β: 95.154 ± 0.005°
• γ: 90°
• Cell volume: 1831.68 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1067
• Residual factor for significantly intense reflections: 0.0853
• Weighted residual factors for significantly intense reflections: 0.224
• Weighted residual factors for all reflections included in the refinement: 0.2635
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No