Information card for entry 7225355

Structure parameters

• Formula: C12 H10 O4 S2
• Calculated formula: C12 H10 O4 S2
• SMILES: s1c(c2ccc(C(=O)OC)s2)ccc1C(=O)OC
• Title of publication: Highly efficient palladium(ii) hydrazone based catalysts for the Suzuki coupling reaction in aqueous medium
• Authors of publication: Muthumari, Subramanian; Ramesh, Rengan
• Journal of publication: RSC Adv.
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 57
• Pages of publication: 52101
• a: 3.9254 ± 0.0012 Å
• b: 6.0049 ± 0.0018 Å
• c: 13.818 ± 0.004 Å
• α: 77.96 ± 0.004°
• β: 88.838 ± 0.004°
• γ: 72.527 ± 0.004°
• Cell volume: 303.54 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.125
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No