Information card for entry 4100913

Structure parameters

• Formula: C8 H9 Cl3 N O
• Calculated formula: C9 Cl3 N O
• SMILES: ClC1(Cl)[C@H]2C(=NC1=O)CCCC[C@@H]2Cl.ClC1(Cl)[C@@H]2C(=NC1=O)CCCC[C@H]2Cl
• Title of publication: Supplementary Information of X-ray Crystal Analysis of HAM4
• Authors of publication: Kimihisa Yamamoto
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 8.4098 ± 0.0013 Å
• b: 9.8271 ± 0.0015 Å
• c: 14.997 ± 0.002 Å
• α: 101.406 ± 0.003°
• β: 90.749 ± 0.003°
• γ: 114.735 ± 0.003°
• Cell volume: 1097.1 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 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