Information card for entry 8107453

Structure parameters

• Formula: C20 H30 N4 O3 S
• Calculated formula: C20 H30 N4 O3 S
• Title of publication: Crystal structure of ethyl 4-{[5-(adamantan-1-yl)-2-sulfanylidene-2,3-dihydro-1,3,4-oxadiazol-3-yl]methyl}piperazine-1-carboxylate, C20H30N4O3S
• Authors of publication: Al-Sanea, Mohammad M.; Abdelbaky, Mohammed S. M.; Garcia-Granda, Santiago; Mohamed, Ahmed A. B.; Tiekink, Edward R. T.; El-Emam, Ali A.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 2
• Pages of publication: 403 - 405
• a: 7.7152 ± 0.0003 Å
• b: 10.6132 ± 0.0002 Å
• c: 25.599 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2096.12 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1288
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No