Information card for entry 7223442

Structure parameters

• Formula: C28 H24 N2 O3 S
• Calculated formula: C28 H24 N2 O3 S
• SMILES: S1C[C@@H]2N([C@@]3([C@]([C@H]2c2ccc(C)cc2)(C#N)C(=O)OCC)c2c4c(cccc4C3=O)ccc2)C1.S1C[C@H]2N([C@]3([C@@]([C@@H]2c2ccc(C)cc2)(C#N)C(=O)OCC)c2c4c(cccc4C3=O)ccc2)C1
• Title of publication: Imposed hydrophobic interactions by NaCl: accountable attribute for the synthesis of spiro[acenaphthylene-1,5′-pyrrolo[1,2-c]thiazole] derivatives via 1,3-dipolar cycloaddition reaction in aqueous medium
• Authors of publication: Dandia, Anshu; Parewa, Vijay; Kumari, Sukhbeer; Bansal, Sarika; Sharma, Amit
• Journal of publication: Green Chem.
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 8
• Pages of publication: 2488
• a: 9.0258 ± 0.0009 Å
• b: 11.0099 ± 0.001 Å
• c: 12.4506 ± 0.0012 Å
• α: 79.449 ± 0.004°
• β: 76.11 ± 0.004°
• γ: 80.803 ± 0.003°
• Cell volume: 1172 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0756
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.14
• Weighted residual factors for all reflections included in the refinement: 0.1625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No