Information card for entry 2008535

Structure parameters

• Chemical name: 3-ethyl-5-[(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalene)-methynyl]- 2,4-triazolidindione
• Formula: C20 H25 N O2 S
• Calculated formula: C20 H25 N O2 S
• SMILES: CCN1C(=O)S/C(=C\c2ccc3c(c2)C(C)(C)CCC3(C)C)C1=O
• Title of publication: 3-Ethyl-5-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthylmethylene)thiazolidine-2,4-dione
• Authors of publication: Bozdag-Dundar, Oya; Dundar, Burak; Buyukbingol, Erdem; Caira, Mino R
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 6
• Pages of publication: 1027 - 1029
• a: 10.412 ± 0.001 Å
• b: 8.516 ± 0.001 Å
• c: 21.556 ± 0.001 Å
• α: 90°
• β: 101.223 ± 0.01°
• γ: 90°
• Cell volume: 1874.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for all reflections: 0.1674
• Weighted residual factors for all reflections included in the refinement: 0.1516
• Goodness-of-fit parameter for all reflections: 1.049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes