Information card for entry 1555151

Structure parameters

• Chemical name: (E)-2-tert-butyl-5-((4-methylphenyl)(phenyl)methylene) -4,5-dihydrooxazole
• Formula: C21 H23 N O
• Calculated formula: C21 H23 N O
• SMILES: N1=C(OC(=C(c2ccccc2)\c2ccc(cc2)C)\C1)C(C)(C)C
• Title of publication: Utilization of Copper-Catalyzed Carboarylation-Ring Closure for the Synthesis of New Oxazoline Derivatives.
• Authors of publication: Sinai, Ádám; Vangel, Dóra; Gáti, Tamás; Bombicz, Petra; Novák, Zoltán
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 17
• Pages of publication: 4136 - 4139
• a: 9.1308 ± 0.0009 Å
• b: 14.0389 ± 0.0016 Å
• c: 14.7904 ± 0.0017 Å
• α: 90°
• β: 106.943 ± 0.002°
• γ: 90°
• Cell volume: 1813.6 ± 0.3 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 ± 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: 0.1242
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.1791
• Weighted residual factors for all reflections included in the refinement: 0.2182
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No