Information card for entry 4100970

Structure parameters

• Formula: C15 H19 Cl N2
• Calculated formula: C15 H19 Cl N2
• SMILES: Clc1c(C#CC(=N/C(C)C)\NC(C)C)cccc1
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 17.097 ± 0.002 Å
• b: 9.395 ± 0.0013 Å
• c: 18.607 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2988.9 ± 0.7 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No