Information card for entry 4115119

Structure parameters

• Formula: C27 H30 S6
• Calculated formula: C32.09 H30 S6
• Title of publication: Nanotube Formation Favored by Chalcogen-Chalcogen Interactions
• Authors of publication: Daniel B. Werz; Rolf Gleiter; Frank Rominger
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 10638 - 10639
• a: 24.0134 ± 0.0001 Å
• b: 24.0134 ± 0.0001 Å
• c: 9.8698 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4928.86 ± 0.06 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0662
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No