Information card for entry 8100944

Structure parameters

• Common name: Tetrapropylhexathiaadamantane
• Formula: C16 H28 S6
• Calculated formula: C16 H28 S6
• Title of publication: Crystal structure of 1,3,5,7-tetrapropyl-2,4,6,8,9,10-hexathiaadamantane, C~4~S~6~(CH~2~CH~2~CH~3~)~4~
• Authors of publication: Mahjoub, Ahmed; Zantour, Hédi
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2001
• Journal volume: 216
• Journal issue: 2
• Pages of publication: 271 - 272
• a: 10.29 ± 0.002 Å
• b: 10.29 ± 0.002 Å
• c: 37.722 ± 0.015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3993.9 ± 1.9 ų
• Cell temperature: 148 ± 2 K
• Ambient diffraction temperature: 148 ± 2 K
• Number of distinct elements: 3
• Space group number: 142
• Hermann-Mauguin space group symbol: I 41/a c d :2
• Hall space group symbol: -I 4bd 2c
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0631
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No