Information card for entry 8102456

Structure parameters

• Common name: p-hydroxy w-nitrostyrene
• Chemical name: (E)-4-(2-nitrovinyl)phenol
• Formula: C8 H7 N O3
• Calculated formula: C8 H7 N O3
• SMILES: c1c(/C=C/N(=O)=O)ccc(c1)O
• Title of publication: Crystal structure of (E)-4-(2-nitrovinyl)phenol, C8H7NO3
• Authors of publication: Li-Tao An; Jian-Feng Zhou; Xiaojun Sun
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 3
• Pages of publication: 471
• a: 3.968 ± 0.002 Å
• b: 10.9 ± 0.006 Å
• c: 17.579 ± 0.009 Å
• α: 90°
• β: 91.293 ± 0.006°
• γ: 90°
• Cell volume: 760.1 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0828
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No