Information card for entry 7239016

Structure parameters

• Formula: C18 H17 N O3 S
• Calculated formula: C18 H17 N O3 S
• 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: 6.1217 ± 0.0014 Å
• b: 11.429 ± 0.003 Å
• c: 11.589 ± 0.003 Å
• α: 85.145 ± 0.019°
• β: 83.541 ± 0.019°
• γ: 80.709 ± 0.019°
• Cell volume: 793.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1626
• Residual factor for significantly intense reflections: 0.1058
• Weighted residual factors for significantly intense reflections: 0.2586
• Weighted residual factors for all reflections included in the refinement: 0.3071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No