Information card for entry 7101698

Structure parameters

• Formula: C38 H32 F13 N O5
• Calculated formula: C38 H32 F13 N O5
• SMILES: c1c(ccc2cc(ccc12)OCCCCCC)OCCOCCN1C(=O)c2ccc(c3cccc(c23)C1=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Title of publication: Segregated assemblies in bridged electron-rich and electron-poor pi-conjugated moieties.
• Authors of publication: Benanti, Travis L; Saejueng, Pranorm; Venkataraman, D
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 7
• Pages of publication: 692 - 694
• a: 7.9502 ± 0.0003 Å
• b: 9.5259 ± 0.0004 Å
• c: 49.289 ± 0.002 Å
• α: 88.749 ± 0.001°
• β: 90.236 ± 0.001°
• γ: 87.669 ± 0.002°
• Cell volume: 3728.8 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.1479
• Residual factor for significantly intense reflections: 0.1089
• Weighted residual factors for significantly intense reflections: 0.312
• Weighted residual factors for all reflections included in the refinement: 0.3541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.439
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No