Information card for entry 2101458

Structure parameters

• Formula: C18 H20 N2 O4 S4
• Calculated formula: C18 H20 N2 O4 S4
• SMILES: CS(=O)C.CCn1c(=C/C=C2\SC(=S)N(C2=O)CC(=O)O)/sc2c1cccc2
• Title of publication: Crystal and molecular structures of 3-acetyl-5-[2-(3-ethyl-2-benzothiazolidene)]ethylidenerhodanine and its lithium and sodium salts. Layered organic–inorganic structures
• Authors of publication: Nüesch, F.; Grätzel, M.; Nesper, R.; Shklover, V.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 2
• Pages of publication: 277 - 286
• a: 7.664 ± 0.006 Å
• b: 9.874 ± 0.008 Å
• c: 14.851 ± 0.008 Å
• α: 101.71 ± 0.05°
• β: 90.45 ± 0.05°
• γ: 102.27 ± 0.05°
• Cell volume: 1073.8 ± 1.4 ų
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No