Information card for entry 4062856

Structure parameters

• Formula: C16 H15 N O S Se
• Calculated formula: C16 H15 N O S Se
• SMILES: [Se](Sc1ccccc1)c1ccccc1C1=NCCCO1
• Journal of publication: Organometallics
• Year of publication: 2004
• a: 13.6779 ± 0.0011 Å
• b: 7.6783 ± 0.0004 Å
• c: 15.208 ± 0.0011 Å
• α: 90°
• β: 112.554 ± 0.008°
• γ: 90°
• Cell volume: 1475.03 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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