Information card for entry 7251744

Structure parameters

• Formula: C24 H19 N O6 S
• Calculated formula: C24 H19 N O6 S
• Title of publication: A regioselective sustainable neat approach to naphtho[2,3-<i>b</i>]thiophene-4,9-dione: detailed mechanistic study and DFT analysis.
• Authors of publication: Manik, Soumen K.; Ali, Sk Asraf; Sepay, Nayim; Deb, Aniruddha; Shit, Manik; Barik, Paritosh; Rath, Jyotirmoy; Maity, Kankan K.; Pal, Sudhir C.; Samanta, Shubhankar; Hazra, Nirmal K.
• Journal of publication: RSC advances
• Year of publication: 2026
• Journal volume: 16
• Journal issue: 7
• Pages of publication: 6090 - 6105
• a: 13.391 ± 0.003 Å
• b: 9.952 ± 0.003 Å
• c: 33.797 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4504 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.115
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1512
• Weighted residual factors for all reflections included in the refinement: 0.1847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No