Information card for entry 2006487

Structure parameters

• Formula: C23 H30 O S
• Calculated formula: C23 H30 O S
• SMILES: S=C(c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1ccc(OC)cc1
• 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: 11.336 ± 0.001 Å
• b: 13.136 ± 0.002 Å
• c: 14.24 ± 0.002 Å
• α: 90°
• β: 96.667 ± 0.009°
• γ: 90°
• Cell volume: 2106.1 ± 0.5 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 4
• 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: 0.0472
• Weighted residual factors for all reflections included in the refinement: 0.1445
• Goodness-of-fit parameter for all reflections included in the refinement: 2.03
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No