Information card for entry 2010345

Structure parameters

• Formula: C14 H15 N O4 S
• Calculated formula: C14 H15 N O4 S
• SMILES: COC(=O)C(=C1SCCN1c1ccccc1)C(=O)OC
• Title of publication: 2-[Bis(methoxycarbonyl)methylene]-3-phenyl-1,3-thiazolidine
• Authors of publication: Heinemann, F.W.; Hartung, H.; Cleve, D.; Rudorf, W.-D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 12
• Pages of publication: 1986 - 1988
• a: 15.224 ± 0.002 Å
• b: 6.068 ± 0.001 Å
• c: 14.968 ± 0.001 Å
• α: 90°
• β: 90.87 ± 0.01°
• γ: 90°
• Cell volume: 1382.6 ± 0.3 ų
• Cell temperature: 293 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.046
• Goodness-of-fit parameter for significantly intense reflections: 4.63
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No