Information card for entry 4020422

Structure parameters

• Formula: C72 H96 N12 O18
• Calculated formula: C66 H78 N10 O16
• Title of publication: Synthesis, Structure, and Computational Studies of Soluble Conjugated Multidentate Macrocycles
• Authors of publication: Amanda J. Gallant; Joseph K.-H. Hui; Federico E. Zahariev; Yan Alexander Wang; Mark J. MacLachlan
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 7936 - 7946
• a: 10.3139 ± 0.0009 Å
• b: 16.569 ± 0.002 Å
• c: 22.171 ± 0.003 Å
• α: 83.097 ± 0.004°
• β: 79.186 ± 0.004°
• γ: 77.884 ± 0.004°
• Cell volume: 3625.7 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No