Information card for entry 7100458

Structure parameters

• Formula: C22 H30 B2 O4
• Calculated formula: C22 H30 B2 O4
• Title of publication: Selective Ir-Catalysed Borylation of Polycyclic Aromatic Hydrocarbons: Structures of Naphthalene-2,6-bis(boronate), Pyrene-2,7-bis(boronate) and Perylene-2,5,8,11-tetra(boronate) esters
• Authors of publication: Todd Marder; Andrei S. Batsanov; David N. Coventry; Andres Eduardo Goeta; Judith A.K. Howard; Robin N Perutz
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 6.501 ± 0.001 Å
• b: 16.249 ± 0.002 Å
• c: 10.146 ± 0.002 Å
• α: 90°
• β: 99.7 ± 0.01°
• γ: 90°
• Cell volume: 1056.4 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• 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: Yes
• Has Fobs: No