Information card for entry 7239015

Structure parameters

• Common name: naphtho[b]thiophene
• Formula: C18 H10 O3 S3
• Calculated formula: C18 H10 O3 S3
• Title of publication: DMAP mediated one-pot domino thienannulation: a versatile, regioselective and green mechanochemical route to naphtho[2,3-b]thiophenes
• Authors of publication: Shukla, Gaurav; Verma, Girijesh Kumar; Nagaraju, Anugula; Verma, Rajiv Kumar; Raghuvanshi, Keshav; Singh, Maya Shankar
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 33
• Pages of publication: 13811
• a: 8.245 ± 0.005 Å
• b: 8.504 ± 0.005 Å
• c: 12.515 ± 0.005 Å
• α: 97.9 ± 0.005°
• β: 92.639 ± 0.005°
• γ: 113.007 ± 0.005°
• Cell volume: 795.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0597
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.1285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No