Information card for entry 2206946

Structure parameters

• Chemical name: 2,6-Dibromophenyl acridine-9-carboxylate
• Formula: C20 H11 Br2 N O2
• Calculated formula: C20 H11 Br2 N O2
• SMILES: c1cccc2nc3ccccc3c(c12)C(=O)Oc1c(cccc1Br)Br
• Title of publication: 2,6-Dibromophenyl acridine-9-carboxylate
• Authors of publication: Artur Sikorski; Karol Krzymiński; Antoni Konitz; Jerzy Błażejowski
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: o3112 - o3114
• a: 9.385 ± 0.002 Å
• b: 9.84 ± 0.002 Å
• c: 11.246 ± 0.002 Å
• α: 66.22 ± 0.03°
• β: 77.23 ± 0.03°
• γ: 61.85 ± 0.03°
• Cell volume: 837.4 ± 0.4 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0791
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0812
• Goodness-of-fit parameter for all reflections included in the refinement: 0.85
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes