Information card for entry 4508779

Structure parameters

• Formula: C22 H4 F10 N4 O2
• Calculated formula: C22 H4 F10 N4 O2
• SMILES: c1c(ccc(c1)c1nnc(c2c(c(c(c(c2F)F)F)F)F)o1)c1nnc(c2c(c(c(c(c2F)F)F)F)F)o1
• Title of publication: Self-Assembled, Discrete Organic Tubular Crystals with Controllable Sizes by Simple Sublimation
• Authors of publication: Tang, Hongding; Gao, Jian Ping; Xiong, Ying; Wang, Zhi Yuan
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 7
• Pages of publication: 1559
• a: 7.3223 ± 0.0014 Å
• b: 7.5889 ± 0.0015 Å
• c: 8.714 ± 0.0017 Å
• α: 83.383 ± 0.003°
• β: 77.723 ± 0.004°
• γ: 89.083 ± 0.003°
• Cell volume: 469.98 ± 0.16 ų
• Cell temperature: 205 ± 2 K
• Ambient diffraction temperature: 205 ± 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: 0.0639
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No