Information card for entry 2013294

Structure parameters

• Chemical name: dimethyl (4RS)-3,4-diphenyl-1,3-thiazolidine-5-spiro-9'-[9H]fluorene-2,2-dicarboxylate
• Formula: C31 H25 N O4 S
• Calculated formula: C31 H25 N O4 S
• SMILES: S1C(C(=O)OC)(C(=O)OC)N(c2ccccc2)C(c2ccccc2)C21c1ccccc1c1ccccc21
• Title of publication: 1,3-Thiazolidine derivatives from regioselective [2+3]-cycloadditions of azomethine ylides with thioketones
• Authors of publication: Domagała, Małgorzata; Linden, Anthony; Olszak, Tomasz A.; Mlostoń, Grzegorz; Heimgartner, Heinz
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 5
• Pages of publication: o250 - o253
• a: 9.817 ± 0.001 Å
• b: 11.233 ± 0.002 Å
• c: 12.459 ± 0.002 Å
• α: 102.53 ± 0.01°
• β: 97.91 ± 0.01°
• γ: 98.52 ± 0.01°
• Cell volume: 1305.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes