Information card for entry 1506588

Structure parameters

• Formula: C23 H24 N2 O
• Calculated formula: C23 H24 N2 O
• SMILES: O=C(N(c1c(cccc1)C(C)C)Cc1ccccc1)Nc1ccccc1
• Title of publication: Ring-selective functionalization of N,N'-diarylureas by regioselective N-alkylation and directed ortho metalation.
• Authors of publication: Clayden, Jonathan; Turner, Hazel; Pickworth, Mark; Adler, Thomas
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 15
• Pages of publication: 3147 - 3150
• a: 10.937 ± 0.004 Å
• b: 11.046 ± 0.004 Å
• c: 16.161 ± 0.006 Å
• α: 88.315 ± 0.007°
• β: 79.184 ± 0.008°
• γ: 88.986 ± 0.008°
• Cell volume: 1916.8 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1865
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1321
• Weighted residual factors for all reflections included in the refinement: 0.1646
• Goodness-of-fit parameter for all reflections included in the refinement: 0.761
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No