Information card for entry 7100293

Structure parameters

• Formula: C12 H13 F2 N O
• Calculated formula: C12 H13 F2 N O
• SMILES: ON=C(c1ccccc1)C(C)(C)C=C(F)F
• Title of publication: Heck-Type 5-endo-trig Cyclization Promoted by Vinylic Fluorines: Synthesis of 5-Fluoro-3H-Pyrroles
• Authors of publication: Junji Ichikawa; Jun Mihara; Kotaro Sakoda
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 7.5652 ± 0.0018 Å
• b: 6.306 ± 0.0015 Å
• c: 23.707 ± 0.006 Å
• α: 90°
• β: 97.4505 ± 0.001°
• γ: 90°
• Cell volume: 1121.4 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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