Information card for entry 7156023

Structure parameters

• Common name: vbchem162_0m_a
• Formula: C18 H16 N2 O3
• Calculated formula: C18 H16 N2 O3
• SMILES: O(c1n2c(nc1c1ccccc1)c(ccc2)C)/C=C\C(=O)OC
• Title of publication: A convergent synthesis of vinyloxyimidazopyridine via Cu(i)-catalyzed three-component coupling.
• Authors of publication: Samanta, Sadhanendu; Mondal, Susmita; Hajra, Alakananda
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 7
• Pages of publication: 1088 - 1092
• a: 8.2376 ± 0.0004 Å
• b: 8.7359 ± 0.0004 Å
• c: 11.8649 ± 0.0006 Å
• α: 98.745 ± 0.002°
• β: 102.654 ± 0.002°
• γ: 102.432 ± 0.002°
• Cell volume: 795.58 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0913
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1789
• Weighted residual factors for all reflections included in the refinement: 0.2103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No