Information card for entry 2300001

Structure parameters

• Chemical name: Tris(4-bromophenyl)boroxine
• Formula: C18 H12 B3 Br3 O3
• Calculated formula: C18 B3 Br3 O3
• Title of publication: A novel strategy for <i>ab initio</i> structure determination using micro-powder X-ray diffraction: structure solution and refinement of 3-bromophenylboronic acid and tris(4-bromophenyl)boroxine
• Authors of publication: Nattamai S. P. Bhuvanesh; Joseph H. Reibenspies; Peter L. Lee; Yuegang Zhang
• Journal of publication: Journal of Applied Crystallography
• Year of publication: 2005
• Journal volume: 38
• Journal issue: 4
• Pages of publication: 632 - 638
• a: 18.9289 ± 0.0006 Å
• b: 21.8872 ± 0.0006 Å
• c: 4.8842 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2023.53 ± 0.12 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Diffraction radiation wavelength: 0.619383 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No