Information card for entry 2004189

Structure parameters

• Formula: C20 H25 N O2 S
• Calculated formula: C20 H25 N O2 S
• SMILES: s1c(c(c2ccccc12)C(=O)OC1C[C@H]2CC[C@@H](C1)N2C)C(C)C
• Title of publication: Tropinyl 2-Isopropylbenzo[<i>b</i>]thiophene-3-carboxylate, C~20~H~25~NO~2~S
• Authors of publication: Das, B. C.; Pain (Biswas), S.; Biswas, G.; Ganguly, S. N.; Banerjee, A.; Duax, W. L.; Maji, B. B.; Ghatak, K. L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 11
• Pages of publication: 2386 - 2388
• a: 13.887 ± 0.002 Å
• b: 8.121 ± 0.001 Å
• c: 16.201 ± 0.003 Å
• α: 90°
• β: 98.15 ± 0.01°
• γ: 90°
• Cell volume: 1808.6 ± 0.5 ų
• Cell temperature: 300 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.041
• Goodness-of-fit parameter for significantly intense reflections: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No