Information card for entry 7209132

Structure parameters

• Formula: C58 H46 Cl4 F8 N4 O4
• Calculated formula: C58 H46 Cl4 F8 N4 O4
• Title of publication: A co-crystal of 2-(1′-pyrenyl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole-3-oxide-1-oxyl with octafluoronaphthalene
• Authors of publication: Akpinar, Handan; Mague, Joel T.; Lahti, Paul M.
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 5
• Pages of publication: 831
• a: 13.8838 ± 0.0008 Å
• b: 10.1039 ± 0.0006 Å
• c: 18.7348 ± 0.0011 Å
• α: 90°
• β: 107.125 ± 0.001°
• γ: 90°
• Cell volume: 2511.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No