Information card for entry 1511923

Structure parameters

• Formula: C33 H30 O7
• Calculated formula: C33 H30 O7
• SMILES: C1(=C[C@@H]([C@H]([C@H](/C(=C(c2ccccc2)\C=C\C(=O)OC)C(=O)OC)O1)c1ccccc1)c1ccccc1)C(=O)OC.C1(=C[C@H]([C@@H]([C@@H](/C(=C(c2ccccc2)\C=C\C(=O)OC)C(=O)OC)O1)c1ccccc1)c1ccccc1)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: 10.6078 ± 0.001 Å
• b: 11.7116 ± 0.0011 Å
• c: 13.0714 ± 0.0013 Å
• α: 103.006 ± 0.002°
• β: 107.583 ± 0.002°
• γ: 105.221 ± 0.002°
• Cell volume: 1409.6 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0906
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1268
• Weighted residual factors for all reflections included in the refinement: 0.1428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No