Information card for entry 7113443

Structure parameters

• Formula: C59 H38 N6 O6
• Calculated formula: C59 H38 N6 O6
• Title of publication: Formation of pyrene nano-rods within a supramolecular framework
• Authors of publication: Ma, Bao-Qing; Coppens, Philip
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 18
• Pages of publication: 2290 - 2291
• a: 36.822 ± 0.003 Å
• b: 18.7938 ± 0.0016 Å
• c: 12.9043 ± 0.001 Å
• α: 90°
• β: 90.533 ± 0.004°
• γ: 90°
• Cell volume: 8929.7 ± 1.3 ų
• Cell temperature: 90 ± 1 K
• Ambient diffraction temperature: 90 ± 1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2065
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.1659
• Weighted residual factors for all reflections included in the refinement: 0.2359
• Goodness-of-fit parameter for all reflections included in the refinement: 0.922
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7104801
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No