Information card for entry 7101101

Structure parameters

• Formula: C24 H31 Cl N2 O4
• Calculated formula: C24 H31 Cl N2 O4
• SMILES: c1n(cc[n+]1c1c(cc(cc1C)C)C)c1c(cccc1C(C)C)C(C)C.[O-]Cl(=O)(=O)=O
• Title of publication: Convenient, scalable and flexible method for the preparation of imidazolium salts with previously inaccessible substitution patterns
• Authors of publication: A. Furstner; M. Alcarazo; V. Cesar; C.W. Lehmann
• Journal of publication: Chemical Communications
• Year of publication: 2006
• a: 9.5248 ± 0.0002 Å
• b: 9.5297 ± 0.0002 Å
• c: 15.4459 ± 0.0004 Å
• α: 80.307 ± 0.001°
• β: 88.71 ± 0.001°
• γ: 60.789 ± 0.001°
• Cell volume: 1203.33 ± 0.05 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