Information card for entry 7128969

Structure parameters

• Formula: C22 H28 N2 O2
• Calculated formula: C22 H28 N2 O2
• SMILES: C1C2CC3CC1(CC(C2)C3)C(=O)NCC1Cc2c(C(=O)N1)ccc(c2)C
• Title of publication: Ruthenium(II)-catalyzed C-H activation and (4+2) annulation of aromatic hydroxamic acid esters with allylic amides.
• Authors of publication: Giri, Chandan Kumar; Dana, Suman; Baidya, Mahiuddin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 81
• Pages of publication: 10536 - 10539
• a: 15.984 ± 0.0009 Å
• b: 12.2827 ± 0.0007 Å
• c: 10.0356 ± 0.0005 Å
• α: 90°
• β: 94.87 ± 0.002°
• γ: 90°
• Cell volume: 1963.14 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0776
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1564
• Weighted residual factors for all reflections included in the refinement: 0.1841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No