Information card for entry 7119608

Structure parameters

• Formula: C42.77 H39.54 Cl1.54 N2 O4 S2
• Calculated formula: C42.76 H39.52 Cl1.52 N2 O4 S2
• Title of publication: Fluoroalkyl-modified naphthodithiophene diimides.
• Authors of publication: Fan, Wei; Liu, Chunming; Li, Yan; Wang, Zhaohui
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 53
• Journal issue: 1
• Pages of publication: 188 - 191
• a: 8.9017 ± 0.0018 Å
• b: 9.2639 ± 0.0019 Å
• c: 13.141 ± 0.003 Å
• α: 97.1 ± 0.03°
• β: 101.59 ± 0.03°
• γ: 107.3 ± 0.03°
• Cell volume: 993.9 ± 0.5 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0876
• Residual factor for significantly intense reflections: 0.0774
• Weighted residual factors for significantly intense reflections: 0.2008
• Weighted residual factors for all reflections included in the refinement: 0.2086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No