Information card for entry 4100587

Structure parameters

• Formula: C17 H14 Cl N O Se
• Calculated formula: C17 H14 Cl N O Se
• SMILES: [Se](c1ccccc1)C(=C1/CN(C1=O)C)/c1ccc(Cl)cc1
• Authors of publication: Fujiwara, Shin-ichi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 12.6016 ± 0.0005 Å
• b: 10.6999 ± 0.0005 Å
• c: 12.1039 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1632 ± 0.1 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No