Information card for entry 7153532

Structure parameters

• Chemical name: N-Cyclohexyl-2-cyclohexylimino-2-phenylacetimidic acid isopropyl ester
• Formula: C23 H34 N2 O
• Calculated formula: C23 H34 N2 O
• SMILES: c1ccccc1/C(=N/C1CCCCC1)/C(=N\C1CCCCC1)OC(C)C
• Title of publication: Synthesis of ?-iminoimidates by palladium catalysed double isonitrile insertion
• Authors of publication: Whitby, Richard J.; Gustaf Saluste, C.; Furber, Mark
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2004
• Journal volume: 2
• Journal issue: 14
• Pages of publication: 1974 - 1976
• a: 9.1902 ± 0.0005 Å
• b: 14.444 ± 0.0007 Å
• c: 15.8727 ± 0.001 Å
• α: 90°
• β: 94.398 ± 0.002°
• γ: 90°
• Cell volume: 2100.8 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.191
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No