Information card for entry 7159459

Structure parameters

• Formula: C24 H22 O4
• Calculated formula: C24 H22 O4
• SMILES: O=C(OCc1ccc(OC)cc1)c1c(cccc1)C(=C)c1ccc(OC)cc1
• Title of publication: <i>ortho</i>-[1-(<i>p</i>-MeOPhenyl)vinyl]benzoate PMPVB as a recyclable auxiliary for C-O and C-S bond formation reactions under Brønsted acid catalysis.
• Authors of publication: Moktan, Sangay; Rotta, Mahendra K. V.; Halder, Suvendu; Pradhan, Priyanka; Kancharla, Pavan K.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 29
• Pages of publication: 5929 - 5934
• a: 7.2137 ± 0.0005 Å
• b: 6.6371 ± 0.0005 Å
• c: 20.4802 ± 0.0015 Å
• α: 90°
• β: 95.575 ± 0.002°
• γ: 90°
• Cell volume: 975.91 ± 0.12 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0736
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.1838
• Weighted residual factors for all reflections included in the refinement: 0.1882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No