Information card for entry 2009527

Structure parameters

• Formula: C23 H20 Br3 N3 O2
• Calculated formula: C23 H20 Br3 N3 O2
• Title of publication: The self-condensation of a derivative of <i>o</i>-aminobenzaldehyde. Structure of the polycyclic bisanhydro trimer of 2-amino-5-bromobenzaldehyde
• Authors of publication: Jircitano, A.J.; Sommerer, S.O.; Shelley, J.J.; Westcott, B.L.; Suh, Il-Hwan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 3
• Pages of publication: 445 - 447
• a: 20.935 ± 0.003 Å
• b: 22.391 ± 0.003 Å
• c: 9.756 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4573.2 ± 1.7 ų
• Cell temperature: 293 K
• Number of distinct elements: 5
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.083
• Weighted residual factors for significantly intense reflections: 0.0895
• Goodness-of-fit parameter for significantly intense reflections: 0.9352
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No