Information card for entry 4021430

Structure parameters

• Formula: C36 H50 N2 O8
• Calculated formula: C36 H50 N2 O8
• Title of publication: E- or Z-Selective Knoevenagel Condensation of Acetoacetic Derivatives: Effect of Acylated Substituent, that is, TEMPO and Amines, as an Auxiliary, and New Accesses to Trisubstituted E- and Z-2-Alkenals and Furans
• Authors of publication: Tsutomu Inokuchi; Hiroyuki Kawafuchi
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 947 - 953
• a: 8.268 ± 0.001 Å
• b: 22.444 ± 0.003 Å
• c: 9.7559 ± 0.0006 Å
• α: 89.994 ± 0.004°
• β: 99.071 ± 0.005°
• γ: 90.032 ± 0.002°
• Cell volume: 1787.7 ± 0.3 ų
• Cell temperature: 150.2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.2663
• Goodness-of-fit parameter for all reflections included in the refinement: 4.331
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No