Information card for entry 1542293

Structure parameters

• Formula: C24 H30 N2 O2
• Calculated formula: C24 H30 N2 O2
• SMILES: O(c1ccc(CN2C(c3ccccc3CC2)C(=O)NC2CCCCC2)cc1)C
• Title of publication: An Ugi Reaction Incorporating a Redox-Neutral Amine C-H Functionalization Step.
• Authors of publication: Zhu, Zhengbo; Seidel, Daniel
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 4
• Pages of publication: 631 - 633
• a: 8.721 ± 0.0004 Å
• b: 11.0214 ± 0.0005 Å
• c: 11.5267 ± 0.0005 Å
• α: 101.563 ± 0.0009°
• β: 96.6362 ± 0.0009°
• γ: 110.424 ± 0.0008°
• Cell volume: 996.22 ± 0.08 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: 0.0487
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No