Information card for entry 8101078

Structure parameters

• Formula: C32 H28 S6
• Calculated formula: C32 H28 S6
• SMILES: S1C2(SC3(SC1(SC(S2)(S3)Cc1ccccc1)Cc1ccccc1)Cc1ccccc1)Cc1ccccc1
• Title of publication: Crystal structure of 1,3,5,7-tetrabenzyl-2,4,6,8,9,10-hexathia-tricyclo [3.3.1.1^3,7^]decane, C~32~H~28~S~6~
• Authors of publication: Mahjoub, Ahmed; Zantour, Hédi; Masson, Serge
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2001
• Journal volume: 216
• Journal issue: 4
• Pages of publication: 589 - 590
• a: 12.001 ± 0.005 Å
• b: 14.599 ± 0.006 Å
• c: 16.974 ± 0.006 Å
• α: 90°
• β: 90.97 ± 0.03°
• γ: 90°
• Cell volume: 2973.4 ± 2.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.156
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No