Information card for entry 7116581

Structure parameters

• Chemical name: FAP-F4TCNQ
• Formula: C83 H31 Cl2.5 F6 N6
• Calculated formula: C83 H31 Cl2.5 F6 N6
• 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: 10.3923 ± 0.0013 Å
• b: 18.707 ± 0.002 Å
• c: 18.841 ± 0.003 Å
• α: 61.769 ± 0.003°
• β: 75.03 ± 0.003°
• γ: 74.372 ± 0.003°
• Cell volume: 3070.6 ± 0.7 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2538
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1744
• Goodness-of-fit parameter for all reflections included in the refinement: 0.814
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No