Information card for entry 4021052

Structure parameters

• Formula: C14 H8 O2 Se2
• Calculated formula: C14 H8 O2 Se2
• SMILES: C1(/[Se]c2c(cccc2)O1)=C1\[Se]c2c(cccc2)O1
• Title of publication: Synthesis and Characterization of Dibenzodioxadiselenafulvalene
• Authors of publication: Takahiro Kojima; Kohtaro Tanaka; Takayuki Ishida; Takashi Nogami
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 9319 - 9322
• a: 8.9159 ± 0.0007 Å
• b: 4.331 ± 0.0003 Å
• c: 15.3642 ± 0.0009 Å
• α: 90°
• β: 93.535 ± 0.002°
• γ: 90°
• Cell volume: 592.15 ± 0.08 ų
• Cell temperature: 90 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No