Information card for entry 2220104

Structure parameters

• Chemical name: Naphthalene-2,3-diylbis[(2-thienyl)methanone]
• Formula: C20 H12 O2 S2
• Calculated formula: C20 H12 O2 S2
• SMILES: s1c(C(=O)c2cc3ccccc3cc2C(=O)c2sccc2)ccc1
• Title of publication: Naphthalene-2,3-diylbis[(2-thienyl)methanone]
• Authors of publication: Thenmozhi, S.; SubbiahPandi, A.; Ranjith, S.; Clement, J. Arul; MohanaKrishnan, A. K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2432
• a: 9.7638 ± 0.0003 Å
• b: 11.1418 ± 0.0004 Å
• c: 15.4496 ± 0.0006 Å
• α: 90°
• β: 90.266 ± 0.001°
• γ: 90°
• Cell volume: 1680.69 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0642
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes