Information card for entry 7128976

Structure parameters

• Formula: C25 H25 N O5
• Calculated formula: C25 H25 N O5
• SMILES: O=C(OC)CC1=Cn2c(C1(C(=O)OCC)c1ccccc1)c(c1cc(OC)ccc21)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: 9.2549 ± 0.0005 Å
• b: 10.9358 ± 0.0004 Å
• c: 11.8353 ± 0.0005 Å
• α: 70.812 ± 0.004°
• β: 83.459 ± 0.004°
• γ: 69.525 ± 0.004°
• Cell volume: 1059.83 ± 0.09 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: 0.0504
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No