Information card for entry 4037472

Structure parameters

• Formula: C31 H37 N O4
• Calculated formula: C31 H37 N O4
• SMILES: O=C(OC)c1ccc(C(c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)CC(=O)Nc2ccccc2)cc1
• Title of publication: Synthesis of Amides and Nitriles from Vinyl Azides and p-Quinone Methides.
• Authors of publication: Lin, Chen; Shen, Yangyong; Huang, Bo; Liu, Yu; Cui, Sunliang
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 7
• Pages of publication: 3950 - 3956
• a: 11.6875 ± 0.0017 Å
• b: 12.1777 ± 0.0018 Å
• c: 12.2214 ± 0.0017 Å
• α: 94.92 ± 0.003°
• β: 111.382 ± 0.002°
• γ: 116.846 ± 0.002°
• Cell volume: 1377.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1587
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.0573
• Weighted residual factors for all reflections included in the refinement: 0.0706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No