Information card for entry 7134340

Structure parameters

• Formula: C25 H18 O2 S
• Calculated formula: C25 H18 O2 S
• Title of publication: Serendipitous pathway to naphtho[2,1-b]furan and its thioether enabled by triflic acid and thiol-mediated reaction
• Authors of publication: Hemamalini, Vijayakumar; Senthil, Maheswaran; Shankar, Bhaskaran; Ramesh, Subburethinam
• Journal of publication: Chemical Communications
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 34
• Pages of publication: 6356 - 6359
• a: 9.4203 ± 0.0003 Å
• b: 10.4873 ± 0.0003 Å
• c: 11.2604 ± 0.0003 Å
• α: 111.406 ± 0.003°
• β: 97.093 ± 0.002°
• γ: 111.432 ± 0.003°
• Cell volume: 920.79 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1456
• Weighted residual factors for all reflections included in the refinement: 0.1494
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No