Information card for entry 7116584

Structure parameters

• Chemical name: FAP-TCNQ
• Formula: C74 H35 Cl N6
• Calculated formula: C74 H35 Cl 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: 10.6327 ± 0.0003 Å
• b: 14.0819 ± 0.0004 Å
• c: 19.8579 ± 0.0008 Å
• α: 109.255 ± 0.0009°
• β: 90.5719 ± 0.0011°
• γ: 109.406 ± 0.0008°
• Cell volume: 2623.52 ± 0.15 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0965
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.1668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No