Information card for entry 7124650

Structure parameters

• Formula: C29 H24 Cl N3 O8
• Calculated formula: C29 H24 Cl N3 O8
• Title of publication: Ligand-controlled stereodivergent 1,3-dipolar cycloaddition of azomethine ylides with 3-methyl-4-nitro-5-styrylisoxazoles.
• Authors of publication: Liu, Kang; Xiong, Yong; Wang, Zuo-Fei; Tao, Hai-Yan; Wang, Chun-Jiang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 60
• Pages of publication: 9458 - 9461
• a: 5.8187 ± 0.0008 Å
• b: 11.7632 ± 0.0017 Å
• c: 11.9555 ± 0.0018 Å
• α: 79.413 ± 0.003°
• β: 87.509 ± 0.003°
• γ: 78.478 ± 0.002°
• Cell volume: 788.2 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0811
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.1829
• Weighted residual factors for all reflections included in the refinement: 0.1946
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No