Information card for entry 7239009

Structure parameters

• Chemical name: 3-Butoxycarbonyl-4-methylthiazolidin-2-one, compound 31
• Formula: C9 H15 N O3 S
• Calculated formula: C9 H15 N O3 S
• Title of publication: Activation and regioselectivity of five-membered cyclic thionocarbamates to nucleophilic attack
• Authors of publication: Awheda, Ismail; Saygili, Nezire; Garner, A. Christopher; Wallis, John D.
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 47
• Pages of publication: 24997
• a: 9.6972 ± 0.0006 Å
• b: 6.7661 ± 0.0003 Å
• c: 17.4884 ± 0.001 Å
• α: 90°
• β: 100.177 ± 0.005°
• γ: 90°
• Cell volume: 1129.4 ± 0.11 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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 all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No