Information card for entry 8101728

Structure parameters

• Chemical name: cis-4-methyl-2,4,6-triphenyl-4H-thiopyran-1-oxide
• Formula: C24 H20 O S
• Calculated formula: C24 H20 O S
• SMILES: S1(=O)C(=CC(C=C1c1ccccc1)(c1ccccc1)C)c1ccccc1
• Title of publication: Crystal structures of cis- and trans-4-methyl-2,4,6-triphenyl-4H-thiopyran- 1-oxide, C~24~H~20~OS
• Authors of publication: Jafarpour, F.; Pirelahi, H.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 2
• Pages of publication: 165 - 168
• a: 10.725 ± 0.003 Å
• b: 14.328 ± 0.003 Å
• c: 23.814 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3659.4 ± 1.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No