Information card for entry 7156384

Structure parameters

• Formula: C21 H21 N O
• Calculated formula: C21 H21 N O
• Title of publication: Thermally-induced intramolecular [2 + 2] cycloaddition of acrylamide-tethered alkylidenecyclopropanes.
• Authors of publication: Zhang, Xiao-Yu; Yang, Song; Wei, Yin; Shi, Min
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 35
• Pages of publication: 6399 - 6404
• a: 14.3887 ± 0.0013 Å
• b: 9.1859 ± 0.0008 Å
• c: 24.515 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3240.2 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0553
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No