Information card for entry 7208502

Structure parameters

• Common name: uhouston01
• Chemical name: uhouston01
• Formula: C60 H34 N4 O6
• Calculated formula: C60 H34 N4 O6
• Title of publication: Critical role of weak [C‒H⋯O] hydrogen bonds in the assembly of benzo[1,2-d:4,5-d′]bisoxazole cruciforms into supramolecular sheets
• Authors of publication: Lim, Jaebum; Osowska, Karolina; Armitage, Jacob A.; Martin, Benjamin R.; Miljanić, Ognjen Š.
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 19
• Pages of publication: 6152
• a: 7.4382 ± 0.0009 Å
• b: 17.0249 ± 0.0019 Å
• c: 20.224 ± 0.002 Å
• α: 96.374 ± 0.009°
• β: 97.194 ± 0.009°
• γ: 94.166 ± 0.008°
• Cell volume: 2515.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1112
• Residual factor for significantly intense reflections: 0.0799
• Weighted residual factors for significantly intense reflections: 0.2156
• Weighted residual factors for all reflections included in the refinement: 0.2316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No