Information card for entry 1511924

Structure parameters

• Formula: C28 H32 O5
• Calculated formula: C28 H32 O5
• SMILES: [C@@]1([C@H](C=C(C(=O)OC)O1)c1c(cc(cc1C)C)C)(C(=O)OC)/C=C/c1c(cc(cc1C)C)C.C1(=C[C@H]([C@@](C(=O)OC)(/C=C/c2c(cc(cc2C)C)C)O1)c1c(cc(cc1C)C)C)C(=O)OC
• Title of publication: Reductive Homocondensation of Benzylidene- and Alkylidenepyruvate Esters by a P(NMe2)3-Mediated Tandem Reaction.
• Authors of publication: Wang, Sunewang Rixin; Radosevich, Alexander T.
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 8
• Pages of publication: 1926 - 1929
• a: 10.046 ± 0.004 Å
• b: 12.149 ± 0.005 Å
• c: 22.277 ± 0.01 Å
• α: 77.506 ± 0.01°
• β: 77.945 ± 0.007°
• γ: 89.988 ± 0.007°
• Cell volume: 2593.1 ± 1.9 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1426
• Residual factor for significantly intense reflections: 0.0712
• Weighted residual factors for significantly intense reflections: 0.2002
• Weighted residual factors for all reflections included in the refinement: 0.2463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No