Information card for entry 2014210

Structure parameters

• Chemical name: 3,3-dichloro-2,2,4,4,3'-pentamethyl-r-2',t-4'-diphenylcyclobutane-1-spiro-5'- 1,3-thiazolidine
• Formula: C23 H27 Cl2 N S
• Calculated formula: C23 H27 Cl2 N S
• SMILES: ClC1(Cl)C(C2(S[C@@H](N([C@H]2c2ccccc2)C)c2ccccc2)C1(C)C)(C)C.ClC1(Cl)C(C2(S[C@H](N([C@@H]2c2ccccc2)C)c2ccccc2)C1(C)C)(C)C
• 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: 11.3371 ± 0.0008 Å
• b: 12.7769 ± 0.0009 Å
• c: 29.1481 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4222.2 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes