Information card for entry 7251743

Structure parameters

• Chemical name: tert-butyl 4,9-dioxo-2-(phenylamino)-4,9-dihydronaphtho[2,3-b]thiophene-3-carboxylate
• Formula: C23 H19 N2 O4 S
• Calculated formula: C23 H19 N O4 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: 8.7952 ± 0.0003 Å
• b: 11.7758 ± 0.0005 Å
• c: 19.3258 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2001.58 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.1577
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No