Information card for entry 7158007

Structure parameters

• Chemical name: conjugated triene
• Formula: C20 H22 N2
• Calculated formula: C20 H22 N2
• Title of publication: Step-wise and one-pot synthesis of highly substituted conjugated trienes from 2-oxobenzo[<i>h</i>]chromenes/2<i>H</i>-pyran-2-ones.
• Authors of publication: Elagamy, Amr; Althagafi, Ismail; Pratap, Ramendra
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 17
• Pages of publication: 3901 - 3910
• a: 6.251 ± 0.0002 Å
• b: 18.8202 ± 0.0006 Å
• c: 14.227 ± 0.0005 Å
• α: 90°
• β: 98.706 ± 0.003°
• γ: 90°
• Cell volume: 1654.45 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0836
• Residual factor for significantly intense reflections: 0.0761
• Weighted residual factors for significantly intense reflections: 0.2068
• Weighted residual factors for all reflections included in the refinement: 0.2139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No