Information card for entry 2014209

Structure parameters

• Chemical name: Dimethyl 3,4,5,5-tetraphenyl-1,3-thiazolidine-2,2-dicarboxylate
• Formula: C31 H27 N O4 S
• Calculated formula: C31 H27 N O4 S
• SMILES: S1C(N(C(C1(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)(C(=O)OC)C(=O)OC
• Title of publication: Dimethyl 3,4,5,5-tetraphenyl-1,3-thiazolidine-2,2-dicarboxylate and 3,3-dichloro-2,2,4,4,3'-pentamethyl-<i>r</i>-2',<i>t</i>-4'-diphenylcyclobutane-1-spiro-5'-1,3-thiazolidine
• Authors of publication: Domagała, Małgorzata; Palusiak, Marcin; Pfitzner, Arno; Zabel, Manfred; Urbaniak, Katarzyna; Mlostoń, Grzegorz; Grabowski, Sławomir J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: o595 - o599
• a: 19.4758 ± 0.0009 Å
• b: 12.2344 ± 0.0006 Å
• c: 22.1493 ± 0.001 Å
• α: 90°
• β: 100.38 ± 0.005°
• γ: 90°
• Cell volume: 5191.2 ± 0.4 ų
• Cell temperature: 173 ± 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 significantly intense reflections: 0.0367
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 0.91
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes