Information card for entry 4021051

Structure parameters

• Formula: C14 H8 O2 Se2
• Calculated formula: C14 H8 O2 Se2
• SMILES: [Se]1C(Oc2c1cccc2)=C1[Se]c2c(O1)cccc2
• 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: 16.04 ± 0.002 Å
• b: 3.969 ± 0.0003 Å
• c: 19.179 ± 0.001 Å
• α: 90°
• β: 107.158 ± 0.004°
• γ: 90°
• Cell volume: 1166.6 ± 0.2 ų
• Cell temperature: 90 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No