Information card for entry 4021091

Structure parameters

• Common name: 7-phenylbicyclo[4.2.0]oct-7-en-2-one
• Formula: C16 H16 O2 Se
• Calculated formula: C16 H16 O2 Se
• SMILES: [Se](C1=C([C@H]2[C@@H]1C(=O)CCC2)c1ccccc1)C(=O)C.[Se](C1=C([C@@H]2[C@H]1C(=O)CCC2)c1ccccc1)C(=O)C
• Title of publication: Synthesis of 3-Acyl-1-alkyl-2-alkylseleno-1-cyclobutene Using Alkyneselenolate
• Authors of publication: Mamoru Koketsu; Kayo Mizutani; Tomoko Ogawa; Ayako Takahashi; Hideharu Ishihara
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 8938 - 8941
• a: 9.9072 ± 0.001 Å
• b: 10.0329 ± 0.001 Å
• c: 14.3386 ± 0.0014 Å
• α: 90°
• β: 104.828 ± 0.005°
• γ: 90°
• Cell volume: 1377.8 ± 0.2 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 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