Information card for entry 7022283

Structure parameters

• Formula: C16 H24 N2 O8 S2
• Calculated formula: C16 H24 N2 O8 S2
• SMILES: C(=O)(C(=O)OC)Nc1ccccc1NC(=O)C(=O)OC.CS(C)=O.CS(C)=O
• Title of publication: The formation of overlooked compounds in the reaction of methyl amine with the diethyl ester of o-phenylenebis(oxamic acid) in MeOH.
• Authors of publication: Abdulmalic, Mohammad A.; Aliabadi, Azar; Petr, Andreas; Kataev, Vladislav; Rüffer, Tobias
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 5
• Pages of publication: 1798 - 1809
• a: 15.3163 ± 0.0005 Å
• b: 9.0186 ± 0.0003 Å
• c: 14.8471 ± 0.0005 Å
• α: 90°
• β: 98.034 ± 0.004°
• γ: 90°
• Cell volume: 2030.72 ± 0.12 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0357
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No