Information card for entry 7156269

Structure parameters

• Formula: C27 H39 N2 O4 P
• Calculated formula: C27 H39 N2 O4 P
• Title of publication: Base-mediated 1,6-conjugate addition of the Seyferth-Gilbert reagent to para-quinone methides.
• Authors of publication: Gupta, Ashis Kumar; Ahamad, Shakir; Vaishanv, Narendra Kumar; Kant, Ruchir; Mohanan, Kishor
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 25
• Pages of publication: 4623 - 4627
• a: 9.947 ± 0.003 Å
• b: 15.743 ± 0.004 Å
• c: 18.185 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2847.7 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0719
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No