Information card for entry 8105354

Structure parameters

• Common name: ethyl-1-(N-(adamantan-1-yl)-carbamothioyl)piperidine-4-carboxylate
• Formula: C19 H30 N2 O2 S
• Calculated formula: C19 H30 N2 O2 S
• Title of publication: The crystal structure of ethyl-1-(N-(adamantan-1-yl)-carbamothioyl)piperidine-4-carboxylate, C19H30N2O2S
• Authors of publication: Bari, Ahmed; Ali, Syed Saeed; Alghadeer, Abdulrahman M.; Alturki, Turki; Hosten, Eric C.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 4
• Pages of publication: 991 - 992
• a: 6.4977 ± 0.0005 Å
• b: 28.728 ± 0.002 Å
• c: 10.1806 ± 0.0008 Å
• α: 90°
• β: 101.549 ± 0.003°
• γ: 90°
• Cell volume: 1861.9 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0552
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No