Information card for entry 7059229

Structure parameters

• Chemical name: methyl (2E,4E,6Z)-6-(4-methoxyphenyl)-7-(4-nitrophenyl)hepta-2,4,6-trienoate
• Formula: C21 H19 N O5
• Calculated formula: C21 H19 N O5
• Title of publication: An insight into regioselectivity in the transformation through a ruthenacycle
• Authors of publication: Kiyota, Sayori; Hirano, Masafumi
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 5
• Pages of publication: 2129 - 2145
• a: 7.192 ± 0.004 Å
• b: 13.35 ± 0.007 Å
• c: 19.898 ± 0.011 Å
• α: 90°
• β: 92.983 ± 0.007°
• γ: 90°
• Cell volume: 1907.9 ± 1.8 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1447
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1377
• Weighted residual factors for all reflections included in the refinement: 0.181
• Goodness-of-fit parameter for all reflections included in the refinement: 0.913
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No