Information card for entry 4100914

Structure parameters

• Formula: C14 H17 Cl2 N O2
• Calculated formula: C16 H18 Cl2 N O4
• SMILES: Cl[C@]1([C@@H]2[C@H](CC1=O)CC[C@H]2Cl)C[C@@H](ON(=O)=O)c1ccccc1.Cl[C@@]1([C@H]2[C@@H](CC1=O)CC[C@@H]2Cl)C[C@H](ON(=O)=O)c1ccccc1
• 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: 12.044 ± 0.003 Å
• b: 6.1019 ± 0.0013 Å
• c: 22.074 ± 0.005 Å
• α: 90°
• β: 97.882 ± 0.006°
• γ: 90°
• Cell volume: 1607 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No