Information card for entry 7116583

Structure parameters

• Chemical name: FAP-C60
• Formula: C162 H48 S4
• Calculated formula: C162 H48 S4
• Title of publication: A facile synthesis of trinaphtho[3.3.3]propellane and its pi-extension and the formation of a two-dimensional honeycomb molecular assembly
• Authors of publication: Takashi Kubo; Shogo Miyazaki; Takuya Kodama; Mitsuya Aoba; Yasukazu Hirao; Hiroyuki Kurata
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 3801
• a: 16.8833 ± 0.0005 Å
• b: 18.4991 ± 0.0006 Å
• c: 23.1447 ± 0.0008 Å
• α: 100.718 ± 0.0009°
• β: 96.6104 ± 0.001°
• γ: 91.6599 ± 0.0008°
• Cell volume: 7046 ± 0.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.129
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.1619
• Weighted residual factors for all reflections included in the refinement: 0.188
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No