Information card for entry 8100831

Structure parameters

• Formula: C29 H30 S
• Calculated formula: C29 H30 S
• SMILES: S1C(=C(C(C(=C1c1ccccc1)C)(C(C)(C)C)c1ccccc1)C)c1ccccc1
• Title of publication: Crystal structure of 4-ethyl-3,5-dimethyl-2,4,6-triphenyl-4H-thiopyran, C~27~H~26~S and of 4-tert-butyl-3,5-dimethyl-2,4,6-triphenyl-4H-thiopyran, C~29~H~30~S
• Authors of publication: Rahmani, Hossein; Taeb, Abbas; Tadjarodi, Azadeh; Pirelahi, Hooshang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2001
• Journal volume: 216
• Journal issue: 1
• Pages of publication: 47 - 50
• a: 8.6745 ± 0.0007 Å
• b: 13.1767 ± 0.001 Å
• c: 20.4932 ± 0.0007 Å
• α: 90°
• β: 90.5367 ± 0.0006°
• γ: 90°
• Cell volume: 2345.9 ± 0.3 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No