Information card for entry 1520552

Structure parameters

• Formula: C36 H22 N12
• Calculated formula: C36 H22 N12
• Title of publication: Porphyrins and Corroles with 2,6-Pyrimidyl Substituents.
• Authors of publication: Saltsman, Irena; Goldberg, Israel; Gross, Zeev
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 13
• Pages of publication: 3214 - 3217
• a: 15.3809 ± 0.0006 Å
• b: 11.5149 ± 0.0006 Å
• c: 17.7975 ± 0.0008 Å
• α: 90°
• β: 90.677 ± 0.002°
• γ: 90°
• Cell volume: 3151.9 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0574
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No