Information card for entry 7059421

Structure parameters

• Formula: C24 H35 N O3
• Calculated formula: C24 H35 N O3
• SMILES: O(C(=O)C(c1ccccc1)C(=O)N(C1CCCCC1)C1CCCCC1)C(C)C
• Title of publication: Infrared spectroscopic detection of ketene formation from carbene and CO sources: an amide synthesis
• Authors of publication: Madarasi, Packirisamy Kuzhalmozhi; Sivasankar, Chinnappan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 21
• Pages of publication: 8718 - 8727
• a: 10.2702 ± 0.0008 Å
• b: 20.6229 ± 0.0013 Å
• c: 10.9839 ± 0.001 Å
• α: 90°
• β: 105.215 ± 0.008°
• γ: 90°
• Cell volume: 2244.9 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.117
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1846
• Weighted residual factors for all reflections included in the refinement: 0.2248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0743
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No