Information card for entry 7154798

Structure parameters

• Formula: C17 H19 N O5
• Calculated formula: C17 H19 N O5
• SMILES: C1(=C(CCO1)/C=C/C(=O)OC)c1ccccc1NC(=O)OCC
• Title of publication: Electronically modified amine substituted alkynols for regio-selective synthesis of dihydrofuran derivatives.
• Authors of publication: V, Vijay; Karkhelikar, Manjusha V.; Sridhar, B.; Mirzadeh, Nedaossadat; Bhargava, Suresh; Likhar, Pravin R.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 1
• Pages of publication: 288 - 295
• a: 13.6571 ± 0.0012 Å
• b: 7.7611 ± 0.0007 Å
• c: 14.968 ± 0.0014 Å
• α: 90°
• β: 91.63 ± 0.002°
• γ: 90°
• Cell volume: 1585.9 ± 0.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.132
• Residual factor for significantly intense reflections: 0.0975
• Weighted residual factors for significantly intense reflections: 0.1684
• Weighted residual factors for all reflections included in the refinement: 0.1823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.242
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No