Information card for entry 7101709

Structure parameters

• Formula: C22 H29 N3 O2
• Calculated formula: C22 H29 N3 O2
• SMILES: O=C(N(c1ccccc1)C)N(C)c1ccccc1C(=O)N(C(C)C)C(C)C
• Title of publication: Achieving conformational control over C-C, C-N and C-O bonds in biaryls, N,N'-diarylureas and diaryl ethers: advantages of a relay axis.
• Authors of publication: Betson, Mark S; Bracegirdle, Ann; Clayden, Jonathan; Helliwell, Madeleine; Lund, Andrew; Pickworth, Mark; Snape, Timothy J; Worrall, Christopher P
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 7
• Pages of publication: 754 - 756
• a: 25.675 ± 0.003 Å
• b: 39.811 ± 0.004 Å
• c: 7.9886 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8165.5 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0672
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No