Information card for entry 7101102

Structure parameters

• Formula: C17 H24 Cl N O7
• Calculated formula: C17 H24 Cl N O7
• SMILES: C1=[N+](CC(O1)OC(=O)C)c1c(cccc1C(C)C)C(C)C.[O-]Cl(=O)(=O)=O
• Journal of publication: Chemical Communications
• Year of publication: 2006
• a: 9.5374 ± 0.001 Å
• b: 10.5798 ± 0.0014 Å
• c: 10.6445 ± 0.0014 Å
• α: 73.132 ± 0.005°
• β: 87.076 ± 0.006°
• γ: 69.773 ± 0.005°
• Cell volume: 963 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No