Information card for entry 2242074

Structure parameters

• Common name: Tricyclohexylphosphane sulfide
• Chemical name: Tricyclohexyl-λ^5^-phosphanethione
• Formula: C18 H33 P S
• Calculated formula: C18 H33 P S
• SMILES: S=P(C1CCCCC1)(C1CCCCC1)C1CCCCC1
• Title of publication: A triclinic polymorph of tricyclohexylphosphane sulfide: crystal structure and Hirshfeld surface analysis
• Authors of publication: Tan, Yi Jiun; Yeo, Chien Ing; Halcovitch, Nathan R.; Jotani, Mukesh M.; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 4
• Pages of publication: 493 - 499
• a: 6.64 ± 0.0005 Å
• b: 10.8089 ± 0.0009 Å
• c: 12.8818 ± 0.001 Å
• α: 103.43 ± 0.007°
• β: 98.467 ± 0.007°
• γ: 91.912 ± 0.007°
• Cell volume: 887.26 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes