Information card for entry 8106232

Structure parameters

• Formula: C24 H28 F6 N2 O S
• Calculated formula: C24 H28 F6 N2 O S
• Title of publication: Crystal structure of 3,5-bis(trifluoromethyl)benzyl(Z)-N-(adamantan-1-yl)morpholine-4-carbothioimidate, C24H28F6N2OS
• Authors of publication: Al-Wahaibi, Lamya H.; Hassan, Hanan M.; Ghabbour, Hazem A.; El-Emam, Ali A.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 4
• Pages of publication: 607 - 609
• a: 17.4112 ± 0.0007 Å
• b: 8.3694 ± 0.0003 Å
• c: 17.6728 ± 0.0007 Å
• α: 90°
• β: 104.612 ± 0.002°
• γ: 90°
• Cell volume: 2492.01 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1054
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.143
• Weighted residual factors for all reflections included in the refinement: 0.1704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No