Information card for entry 4101924

Structure parameters

• Formula: C88 H16 Cu2 F40 N8 O2
• Calculated formula: C88 H16 Cu2 F40 N8 O2
• Title of publication: Fully π-Conjugated Helices from Oxidative Cleavage of meso-Aryl-Substituted Expanded Porphyrins
• Authors of publication: Shohei Saito; Ko Furukawa; Atsuhiro Osuka
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 2128 - 2129
• a: 39.112 ± 0.003 Å
• b: 18.9019 ± 0.0012 Å
• c: 27.3436 ± 0.0018 Å
• α: 90°
• β: 114.308 ± 0.001°
• γ: 90°
• Cell volume: 18423 ± 2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• 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: 0.0779
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1429
• Weighted residual factors for all reflections included in the refinement: 0.1528
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No