Information card for entry 7157523

Structure parameters

• Formula: C8 H6 Br3 N O2
• Calculated formula: C8 H6 Br3 N O2
• SMILES: c1(ccc(cc1)C(CBr)(Br)Br)N(=O)=O
• Title of publication: Reaction of ketone hydrazones with TeCl₄: isolation and reactions of novel divinyl telluride.
• Authors of publication: Okuma, Kentaro; Qu, Yuxuan; Suetome, Aoi; Nagahora, Noriyoshi
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 24
• Pages of publication: 4583 - 4589
• a: 7.016 ± 0.002 Å
• b: 16.476 ± 0.006 Å
• c: 19.291 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2230 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0945
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1487
• Weighted residual factors for all reflections included in the refinement: 0.1604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No