Information card for entry 2236992

Structure parameters

• Chemical name: 6-(4-Methoxyphenyl)naphtho[2,3-<i>b</i>][1]benzothiophene
• Formula: C23 H16 O S
• Calculated formula: C23 H16 O S
• SMILES: s1c2c(c3ccc(OC)cc3)c3c(cc2c2c1cccc2)cccc3
• Title of publication: 6-(4-Methoxyphenyl)naphtho[2,3-<i>b</i>][1]benzothiophene
• Authors of publication: Silambarasan, V.; Srinivasan, T.; Sivasakthikumaran, R.; Mohanakrishnan, A. K.; Velmurugan, D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: o3408 - o3409
• a: 6.2019 ± 0.0003 Å
• b: 11.2124 ± 0.0006 Å
• c: 24.4724 ± 0.0013 Å
• α: 95.759 ± 0.003°
• β: 91.762 ± 0.003°
• γ: 95.617 ± 0.003°
• Cell volume: 1683.63 ± 0.15 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: 0.0694
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.124
• Weighted residual factors for all reflections included in the refinement: 0.1396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes