Information card for entry 8100753

Structure parameters

• Formula: C25 H12 O S3
• Calculated formula: C25 H12 O S3
• Title of publication: Crystal structure of 11-(3'-oxodihydro[1]benzothiophen-2'-ylidene)- cyclopenta[1,2-b:4,3-b']di[1]benzothiophene, C~25~H~12~OS~3~, at 93K
• Authors of publication: Kobayashi, Keiji; Tanifuji, Naoki; Mizuguchi, Jin
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2002
• Journal volume: 217
• Journal issue: 4
• Pages of publication: 521 - 522
• a: 3.8206 ± 0.0005 Å
• b: 12.841 ± 0.001 Å
• c: 18.385 ± 0.002 Å
• α: 95.915 ± 0.009°
• β: 92.545 ± 0.01°
• γ: 94.071 ± 0.01°
• Cell volume: 893.7 ± 0.2 ų
• Cell temperature: 93.2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No