Information card for entry 2006486

Structure parameters

• Formula: C22 H28 S
• Calculated formula: C22 H28 S
• SMILES: S=C(c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1ccccc1
• Title of publication: Phenyl[2,4,6-tris(1-methylethyl)phenyl]methanethione and 4-Methoxyphenyl[2,4,6-tris(1-methylethyl)phenyl]methanethione
• Authors of publication: Fu, Tai Y.; Scheffer, John R.; Trotter, James
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 9
• Pages of publication: 1257 - 1259
• a: 9.218 ± 0.002 Å
• b: 16.055 ± 0.004 Å
• c: 13.804 ± 0.002 Å
• α: 90°
• β: 94.89 ± 0.02°
• γ: 90°
• Cell volume: 2035.5 ± 0.7 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for all reflections included in the refinement: 0.1553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.31
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No