Information card for entry 7133150

Structure parameters

• Formula: C28 H30 N2 O4
• Calculated formula: C28 H30 N2 O4
• Title of publication: Stereoselective synthesis of 6/7/6-fused heterocycles with multiple stereocenters <i>via</i> an internal redox reaction/inverse electron-demand hetero-Diels-Alder reaction sequence.
• Authors of publication: Sakai, Dan; Kojima, Tatsuhiro; Kawasaki-Takasuka, Tomoko; Mori, Keiji
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 53
• Pages of publication: 6797 - 6800
• a: 14.4111 ± 0.0004 Å
• b: 20.2712 ± 0.0005 Å
• c: 10.3678 ± 0.0003 Å
• α: 90°
• β: 129.444 ± 0.002°
• γ: 90°
• Cell volume: 2338.94 ± 0.13 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0319
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No