Information card for entry 2222346

Structure parameters

• Chemical name: (<i>E</i>)-5-(2-Nitroprop-1-enyl)-2,3-dihydro-1-benzofuran
• Formula: C11 H11 N O3
• Calculated formula: C11 H11 N O3
• SMILES: O1CCc2c1ccc(c2)/C=C(N(=O)=O)/C
• Title of publication: (<i>E</i>)-5-(2-Nitroprop-1-enyl)-2,3-dihydro-1-benzofuran
• Authors of publication: Xu, Hong; Sun, Hongshun; Xu, Ning
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1691
• a: 6.128 ± 0.0012 Å
• b: 15.369 ± 0.003 Å
• c: 11.193 ± 0.002 Å
• α: 90°
• β: 101.38 ± 0.03°
• γ: 90°
• Cell volume: 1033.4 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1008
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.1628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes