Information card for entry 4130085

Structure parameters

• Formula: C27 H28 N4 O4
• Calculated formula: C27 H28 N4 O4
• SMILES: O=N(=O)c1c(N/N=C\C(=C(/Cc2ccc(cc2)C)c2ccccc2)CCCC)ccc(N(=O)=O)c1
• Title of publication: A Practical Solution to Stereodefined Tetrasubstituted Olefins.
• Authors of publication: Dai, Jianxin; Wang, Minyan; Chai, Guobi; Fu, Chunling; Ma, Shengming
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 8
• Pages of publication: 2532 - 2535
• a: 8.8093 ± 0.0014 Å
• b: 18.443 ± 0.002 Å
• c: 31.202 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5069.4 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1528
• Residual factor for significantly intense reflections: 0.0952
• Weighted residual factors for significantly intense reflections: 0.2182
• Weighted residual factors for all reflections included in the refinement: 0.2569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No