Information card for entry 4100969

Structure parameters

• Formula: C17 H23 Cl N2
• Calculated formula: C17 H23 Cl N2
• SMILES: Clc1ccc(C#C\C(=N/C(C)(C)C)NC(C)(C)C)cc1
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 8.8524 ± 0.0013 Å
• b: 11.2198 ± 0.0017 Å
• c: 17.538 ± 0.003 Å
• α: 90°
• β: 100.444 ± 0.003°
• γ: 90°
• Cell volume: 1713 ± 0.4 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 4
• 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