Information card for entry 7111109

Structure parameters

• Formula: C72 H98 N8
• Calculated formula: C72 H98 N8
• Title of publication: Conformationally stressed phthalocyanines: the non-planarity of the 1,4,8,11,15,18,22,25-octaisopentyl derivative
• Authors of publication: Chambrier, Isabelle; Cook, Michael J.; Wood, Paul T.
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 21
• Pages of publication: 2133
• a: 20.433 ± 0.005 Å
• b: 33.873 ± 0.004 Å
• c: 10.025 ± 0.004 Å
• α: 90°
• β: 110.12 ± 0.02°
• γ: 90°
• Cell volume: 6515 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.2028
• Residual factor for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections: 0.3911
• Weighted residual factors for significantly intense reflections: 0.2959
• Goodness-of-fit parameter for all reflections: 0.939
• Goodness-of-fit parameter for significantly intense reflections: 1.175
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No