Information card for entry 4100589

Structure parameters

• Formula: C23 H24 Br N O
• Calculated formula: C23 H24 Br N O
• SMILES: Brc1ccc(NC(=O)C[C@H](C#Cc2ccccc2)C2CCCCC2)cc1
• Title of publication: Crystal and molecular structure of ca030205
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 4.8551 ± 0.0002 Å
• b: 13.333 ± 0.0005 Å
• c: 15.6798 ± 0.0008 Å
• α: 97.241 ± 0.002°
• β: 96.07 ± 0.002°
• γ: 95.031 ± 0.002°
• Cell volume: 996 ± 0.08 ų
• Cell temperature: 150 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No