Information card for entry 2207679

Structure parameters

• Chemical name: 4-(2-Nitrovinyl)-2,3,6,7-tetrahydrobenzo[1,2-b;4,5-b']difuran
• Formula: C12 H11 N O4
• Calculated formula: C12 H11 N O4
• SMILES: O1c2c(c3c(OCC3)cc2CC1)/C=C/N(=O)=O
• Title of publication: 4-(2-Nitrovinyl)-2,3,6,7-tetrahydrobenzo[1,2-<i>b</i>;4,5-<i>b</i>']difuran
• Authors of publication: Wei-Ming Xu; Xiu-Rong Hu; Jian-Ming Gu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: o4351 - o4352
• a: 10.22 ± 0.009 Å
• b: 9.204 ± 0.006 Å
• c: 11.386 ± 0.007 Å
• α: 90°
• β: 90.08 ± 0.03°
• γ: 90°
• Cell volume: 1071 ± 1.3 ų
• Cell temperature: 296 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes