Information card for entry 7128974

Structure parameters

• Formula: C22 H25 N O7
• Calculated formula: C22 H25 N O7
• Title of publication: Stereoselective copper-catalyzed heteroarene C-H functionalization/Michael-type annulation cascade with α-diazocarbonyls.
• Authors of publication: Bhat, Aabid; Tucker, Nathan; Lin, Jian-Bin; Grover, Huck
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 81
• Pages of publication: 10556 - 10559
• a: 8.1806 ± 0.0003 Å
• b: 11.5207 ± 0.0003 Å
• c: 12.2742 ± 0.0002 Å
• α: 70.006 ± 0.002°
• β: 77.003 ± 0.002°
• γ: 88.377 ± 0.003°
• Cell volume: 1057.73 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0434
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No