Information card for entry 1503344

Structure parameters

• Formula: C24 H27 N3 O15 S2
• Calculated formula: C24 H27 N3 O15 S2
• SMILES: OC(=O)/C=C/c1cc[nH+]cc1.OC(=O)/C=C/c1cc[nH+]cc1.OC(=O)/C=C/c1cc[nH+]cc1.S(=O)(=O)(O)[O-].O.S(=O)(=O)([O-])[O-]
• Title of publication: Anion-controlled stereoselective synthesis of cyclobutane derivatives by solid-state [2 + 2] cycloaddition reaction of the salts of trans-3-(4-pyridyl) acrylic acid.
• Authors of publication: Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 1
• Pages of publication: 128 - 131
• a: 11.0902 ± 0.0008 Å
• b: 9.1024 ± 0.0007 Å
• c: 27.822 ± 0.002 Å
• α: 90°
• β: 94.389 ± 0.001°
• γ: 90°
• Cell volume: 2800.3 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• 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: 0.0416
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No