Information card for entry 4107592

Structure parameters

• Formula: C44.5 H12.5 Cl1.5 F20 O4 S2
• Calculated formula: C44.5 H8 Cl1.52 F20 O4 S2
• Title of publication: Planar Meso Pentafluorophenyl Core Modified Isophlorins
• Authors of publication: J. Sreedhar Reddy; Venkataramanarao G. Anand
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 3718 - 3719
• a: 12.1454 ± 0.0003 Å
• b: 12.1454 ± 0.0003 Å
• c: 27.8101 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4102.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.0635
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1938
• Weighted residual factors for all reflections included in the refinement: 0.2017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No