Information card for entry 7157595

Structure parameters

• Chemical name: abc
• Formula: C23 H26 N2
• Calculated formula: C23 H26 N2
• SMILES: N1(c2c(c(c(c(c3ccc(cc3)C)c2)CC=C)C)C#N)CCCCC1
• Title of publication: Transition metal-free synthesis of sterically hindered allylarenes from 5-hexene-2-one.
• Authors of publication: Shaw, Ranjay; Althagafi, Ismail; Elagamy, Amr; Rai, Reeta; Shah, Chandan; Nemaysh, Vishal; Singh, Harpreet; Pratap, Ramendra
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 32
• Pages of publication: 6276 - 6286
• a: 8.2991 ± 0.0006 Å
• b: 9.0692 ± 0.0006 Å
• c: 13.6609 ± 0.0009 Å
• α: 94.077 ± 0.005°
• β: 104.535 ± 0.006°
• γ: 105.981 ± 0.006°
• Cell volume: 945.91 ± 0.12 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1232
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.1583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0431
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No