Information card for entry 4021167

Structure parameters

• Formula: C31.5 H46 Br2 N4 O2.5
• Calculated formula: C31.5 H44 Br2 N4 O2.5
• Title of publication: Azolium-Linked Cyclophanes: A Comprehensive Examination of Conformations by ^1^H-NMR Spectroscopy and Structural Studies
• Authors of publication: Murray V. Baker; Mark J. Bosnich; David H. Brown; Lindsay T. Byrne; Valerie J. Hesler; Brian W. Skelton; Allan H. White; Charlotte C. Williams
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 7640 - 7652
• a: 18.661 ± 0.001 Å
• b: 23.019 ± 0.001 Å
• c: 15.0869 ± 0.0008 Å
• α: 90°
• β: 101.066 ± 0.001°
• γ: 90°
• Cell volume: 6360.2 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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