Information card for entry 7128973

Structure parameters

• Formula: C23 H27 N O7
• Calculated formula: C23 H27 N O7
• SMILES: O(c1ccc2n3c(c(c2c1)C)C(C(=C\C(=O)OC)\CC3)(C(=O)OCC)C(=O)OCC)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: 8.24253 ± 0.00009 Å
• b: 10.98466 ± 0.00011 Å
• c: 12.92511 ± 0.00013 Å
• α: 111.405 ± 0.001°
• β: 93.4027 ± 0.0008°
• γ: 104.902 ± 0.0009°
• Cell volume: 1037.52 ± 0.02 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0333
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No