Information card for entry 4020572

Structure parameters

• Common name: Compound 14a
• Formula: C18 H14 Br Cl F N O
• Calculated formula: C18 H14 Br Cl F N O
• SMILES: Brc1cc(cc2c3CC[C@H](c3n(c12)Cc1ccc(cc1)Cl)O)F
• Title of publication: Stereoselective Formation of Carbon-Carbon Bonds via S~N2~-Displacement: Synthesis of Substituted Cycloalkyl[b]indoles
• Authors of publication: Michael C. Hillier; Jean-François Marcoux; Dalian Zhao; Edward J. J. Grabowski; Arlene E. McKeown; Richard D. Tillyer
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 8385 - 8394
• a: 5.2721 ± 0.0013 Å
• b: 12.916 ± 0.003 Å
• c: 23.515 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1601.3 ± 0.7 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No