Information card for entry 7156024

Structure parameters

• Common name: vbchem152_0m_a
• Chemical name: vbchem152_0m_a
• Formula: C23 H20 N2 O
• Calculated formula: C23 H20 N2 O
• SMILES: O(C(=C)c1ccc(cc1)C)c1n2c(nc1c1ccccc1)c(ccc2)C
• 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: 9.5942 ± 0.0006 Å
• b: 9.7522 ± 0.0007 Å
• c: 10.4775 ± 0.0006 Å
• α: 101.242 ± 0.003°
• β: 98.692 ± 0.003°
• γ: 100.998 ± 0.003°
• Cell volume: 925.62 ± 0.1 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: 0.1304
• Residual factor for significantly intense reflections: 0.0923
• Weighted residual factors for significantly intense reflections: 0.2333
• Weighted residual factors for all reflections included in the refinement: 0.273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.24
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No