Information card for entry 8100842

Structure parameters

• Common name: 1,19(1,2,3)10,28(1,2)-tetrabenzena-3,6,9,11,14,17,21,24,27,29,32,35-dodecaoxa- 37,38-dithiabicyclo[17.17.2]hexatriacontaphan
• Formula: C44 H54 O12 S2
• Calculated formula: C44 H54 O12 S2
• Title of publication: Crystal structure of 1,19(1,3,2),10,28(1,2)-tetrabenzena3,6,9,11,14, 17,21,24,27,29,32,35-dodecaoxa-37,38-dithiobicyclo [17.17.2]hexatriacontaphane, C~44~H~54~O~12~S~2~
• Authors of publication: Nabeshima, T.; Nishida, D.; Horn, E.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2001
• Journal volume: 216
• Journal issue: 1
• Pages of publication: 80 - 82
• a: 14.975 ± 0.002 Å
• b: 10.908 ± 0.002 Å
• c: 26.307 ± 0.002 Å
• α: 90°
• β: 94.387 ± 0.008°
• γ: 90°
• Cell volume: 4284 ± 1 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.0503
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No