Information card for entry 8000056

Structure parameters

• Common name: 9,10-distibatriptycene
• Chemical name: 2,3,6,7,14,15-Hexamethyl-9,10-distibatriptycene
• Formula: C27 H24 F3 Sb2
• Calculated formula: C27 H24 F3 Sb2
• Title of publication: A Bromine Adduct of 2,3,6,7,14,15-Hexamethyl-9,10-distibatriptycene. The First Stibonium‒Stiborate Zwitterion
• Authors of publication: Yosuke Uchiyama; Gaku Yamamoto
• Journal of publication: Chemistry Letters
• Year of publication: 2005
• Journal volume: 34
• Journal issue: 7
• Pages of publication: 966
• a: 26.4096 ± 0.001 Å
• b: 10.1131 ± 0.0002 Å
• c: 20.5028 ± 0.0009 Å
• α: 90 ± 0.0004°
• β: 116.932 ± 0.0005°
• γ: 90 ± 0.0004°
• Cell volume: 4882.1 ± 0.3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0273
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No