Information card for entry 7113085

Structure parameters

• Common name: Rubyrin-sse
• Formula: C64 H52 N2 S4.6 Se0.4
• Calculated formula: C64 H52 N2 S4.6 Se0.4
• Title of publication: Fused core-modified meso-aryl expanded porphyrins.
• Authors of publication: Chandrashekar, T. K.; Prabhuraja, V.; Gokulnath, S.; Sabarinathan, R.; Srinivasan, A.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 32
• Pages of publication: 5915 - 5917
• a: 15.0818 ± 0.003 Å
• b: 15.1228 ± 0.003 Å
• c: 16.183 ± 0.0032 Å
• α: 90°
• β: 114.696 ± 0.03°
• γ: 90°
• Cell volume: 3353.4 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1633
• Residual factor for significantly intense reflections: 0.1251
• Weighted residual factors for significantly intense reflections: 0.3594
• Weighted residual factors for all reflections included in the refinement: 0.3887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.503
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No