Information card for entry 2101822

Structure parameters

• Formula: C17 H39 N3 O6 S
• Calculated formula: C17 H39 N3 O6 S
• Title of publication: Inclusion Compounds of Thiourea and Peralkylated Ammonium Salts. VI. Hydrogen-Bonded Host Lattices Constructed From Thiourea and Anions of Oxalic Acid and Fumaric Acid
• Authors of publication: Li, Q.; Mak, T. C. W.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 2
• Pages of publication: 252 - 261
• a: 16.866 ± 0.004 Å
• b: 8.311 ± 0.001 Å
• c: 17.603 ± 0.002 Å
• α: 90°
• β: 104.94 ± 0.01°
• γ: 90°
• Cell volume: 2384.1 ± 0.7 ų
• Cell temperature: 291 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.057
• Goodness-of-fit parameter for significantly intense reflections: 1.72
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No