Information card for entry 4032144

Structure parameters

• Formula: C22 H25 N O6
• Calculated formula: C22 H25 N O6
• Title of publication: Photoinduced Intermolecular [4+2] Cycloaddition Reaction for Construction of Benzobicyclo[2.2.2]octane Skeletons.
• Authors of publication: Liu, Qiang; Wang, Junlei; Li, Dazhi; Yang, Chao; Xia, Wujiong
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 3
• Pages of publication: 1389 - 1402
• a: 10.0753 ± 0.0011 Å
• b: 10.3677 ± 0.0008 Å
• c: 11.4126 ± 0.0013 Å
• α: 76.523 ± 0.008°
• β: 80.432 ± 0.009°
• γ: 64.208 ± 0.009°
• Cell volume: 1041 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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 all reflections: 0.0904
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1468
• Weighted residual factors for all reflections included in the refinement: 0.1741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No