Information card for entry 7051741

Structure parameters

• Formula: C49.5 H39 O5 S3
• Calculated formula: C49.5 H39 O5 S3
• Title of publication: Synthesis and reactivity of 1-aryl-9H-thieno[3,4-b]chromon-9-ones
• Authors of publication: Krayushkin, Mikhail M.; Levchenko, Konstantin S.; Yarovenko, Vladimir N.; Christoforova, Ludmila V.; Barachevsky, Valery A.; Puankov, Yury A.; Valova, Tatyana M.; Kobeleva, Olga I.; Lyssenko, K.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2009
• Journal volume: 33
• Journal issue: 11
• Pages of publication: 2267
• a: 12.116 ± 0.002 Å
• b: 12.633 ± 0.003 Å
• c: 14.075 ± 0.003 Å
• α: 75.424 ± 0.007°
• β: 88.977 ± 0.006°
• γ: 73.821 ± 0.007°
• Cell volume: 1999.3 ± 0.7 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: 0.0778
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1335
• Weighted residual factors for all reflections included in the refinement: 0.1531
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No