Information card for entry 7220752

Structure parameters

• Chemical name: (E)-1-nitro-4-styrylbenzene
• Formula: C14 H11 N O2
• Calculated formula: C14 H11 N O2
• SMILES: c1(ccc(N(=O)=O)cc1)/C=C/c1ccccc1
• Title of publication: Aryl alkyl carbene-Pd complex assisted C-Cl bond activation: An unprecedented cross-coupling route to trans-stilbenes
• Authors of publication: Jha, Abadh Kishor; Kishor, Shyam; Jain, Nidhi
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 7.89 ± 0.003 Å
• b: 10.185 ± 0.004 Å
• c: 28.422 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2284 ± 1.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2395
• Residual factor for significantly intense reflections: 0.0952
• Weighted residual factors for significantly intense reflections: 0.2011
• Weighted residual factors for all reflections included in the refinement: 0.2695
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No