Information card for entry 7132805

Structure parameters

• Formula: C29 H18 O6
• Calculated formula: C29 H18 O6
• Title of publication: Substrate-controlled [4+1] and [3+2] annulations of ninhydrin-derived Morita-Baylis-Hillman carbonates to access polysubstituted furans and cyclopentenes.
• Authors of publication: Wang, Kai-Kai; Li, Yan-Li; Li, Ya-Fei; Yao, Wei-Wei; Li, Lan-Xin; He, Xiao-Long; Chen, Rongxiang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 27
• Pages of publication: 3717 - 3720
• a: 8.5559 ± 0.0017 Å
• b: 26.5 ± 0.005 Å
• c: 9.988 ± 0.002 Å
• α: 90°
• β: 99.097 ± 0.004°
• γ: 90°
• Cell volume: 2236.1 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1086
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No