Information card for entry 7128975

Structure parameters

• Formula: C23 H27 N O7
• Calculated formula: C23 H27 N O7
• SMILES: O(c1ccc2n(c3c(c2c1)C(C(=C\C(=O)OC)\CC3)(C(=O)OCC)C(=O)OCC)C)C
• 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: 13.27378 ± 0.00013 Å
• b: 17.12971 ± 0.00015 Å
• c: 9.945 ± 0.00009 Å
• α: 90°
• β: 104.315 ± 0.001°
• γ: 90°
• Cell volume: 2191.04 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No