Information card for entry 1549406

Structure parameters

• Formula: C34 H51 N3 O4
• Calculated formula: C34 H51 N3 O4
• SMILES: O(C)C(=O)N(c1ccccc1CON1C(CCCC1(C)C)(C)C)C(ON1C(CCCC1(C)C)(C)C)c1ccccc1
• Title of publication: Enantioselective radical process for synthesis of chiral indolines by metalloradical alkylation of diverse C(sp³)-H bonds.
• Authors of publication: Wen, Xin; Wang, Yong; Zhang, X. Peter
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 22
• Pages of publication: 5082 - 5086
• a: 14.4518 ± 0.0005 Å
• b: 15.8358 ± 0.0005 Å
• c: 14.1208 ± 0.0004 Å
• α: 90°
• β: 93.946 ± 0.001°
• γ: 90°
• Cell volume: 3223.97 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0343
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No