Information card for entry 1543065

Structure parameters

• Chemical name: (1<i>R</i>,2<i>R</i>)-8-Bromo-1-[(<i>E</i>)-2-(4-bromophenyl)ethenyl]-2-nitro-1,2-dihydronaphtho[2,1-<i>b</i>]furan
• Formula: C20 H13 Br2 N O3
• Calculated formula: C20 H13 Br2 N O3
• SMILES: Brc1ccc2c(c1)c1c(O[C@@H](N(=O)=O)[C@@H]1/C=C/c1ccc(Br)cc1)cc2
• Title of publication: (1<i>R</i>,2<i>R</i>)-8-Bromo-1-[(<i>E</i>)-2-(4-bromophenyl)ethenyl]-2-nitro-1,2-dihydronaphtho[2,1-<i>b</i>]furan
• Authors of publication: Fang, Xiaoqin; Wang, Yifeng
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 4
• Pages of publication: x160515
• a: 9.4796 ± 0.0015 Å
• b: 7.155 ± 0.0012 Å
• c: 13.651 ± 0.002 Å
• α: 90°
• β: 90.968 ± 0.004°
• γ: 90°
• Cell volume: 925.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes