Information card for entry 7151189

Structure parameters

• Formula: C36 H28 B Cl3 N6 O4
• Calculated formula: C36 H24 B Cl3 N6 O4
• Title of publication: Synthesis, photophysical properties and in vitro photodynamic activity of axially substituted subphthalocyanines.
• Authors of publication: Xu, Hu; Jiang, Xiong-Jie; Chan, Elaine Y. M.; Fong, Wing-Ping; Ng, Dennis K. P.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2007
• Journal volume: 5
• Journal issue: 24
• Pages of publication: 3987 - 3992
• a: 8.8675 ± 0.0012 Å
• b: 12.5714 ± 0.0017 Å
• c: 16.873 ± 0.002 Å
• α: 77.372 ± 0.003°
• β: 85.404 ± 0.003°
• γ: 69.451 ± 0.002°
• Cell volume: 1718.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0875
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.187
• Weighted residual factors for all reflections included in the refinement: 0.2073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No