Information card for entry 7101710

Structure parameters

• Formula: C33 H42 N4 O3
• Calculated formula: C33 H42 N4 O3
• SMILES: c1(ccccc1)N(C)C(=O)N(C)c1cccc(c1C(=O)N(C(C)C)C(C)C)[C@H]1N([C@H]([C@@H](c2ccccc2)O1)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: 9.528 ± 0.0005 Å
• b: 15.82 ± 0.0008 Å
• c: 20.141 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3035.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No