Information card for entry 1556118

Structure parameters

• Common name: boeyz04
• Formula: C27 H31 N O4
• Calculated formula: C27 H31 N O4
• Title of publication: Diels-Alder reactions of cyclic isoimidium salts.
• Authors of publication: Boeckman, Jr, Robert K; Miller, Yan; Ryder, Todd R.
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 20
• Pages of publication: 4524 - 4527
• a: 15.411 ± 0.006 Å
• b: 10.323 ± 0.004 Å
• c: 30.625 ± 0.013 Å
• α: 90°
• β: 103.583 ± 0.006°
• γ: 90°
• Cell volume: 4736 ± 3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0766
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No