Information card for entry 7113083

Structure parameters

• Common name: monofusedrubyrin
• Formula: C64 H52 N2 S5
• Calculated formula: C64 H52 N2 S5
• 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: 14.623 ± 0.003 Å
• b: 15.092 ± 0.003 Å
• c: 15.929 ± 0.003 Å
• α: 90°
• β: 114.98 ± 0.03°
• γ: 90°
• Cell volume: 3186.5 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0948
• Residual factor for significantly intense reflections: 0.0843
• Weighted residual factors for significantly intense reflections: 0.1933
• Weighted residual factors for all reflections included in the refinement: 0.2006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No