Information card for entry 7104678

Structure parameters

• Formula: C107 H75 N4 O4 S
• Calculated formula: C107 H75 N4 O4 S
• Title of publication: Crystal structures and properties of a monoprotonated porphyrin.
• Authors of publication: Honda, Tatsuhiko; Kojima, Takahiko; Fukuzumi, Shunichi
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 33
• Pages of publication: 4994 - 4996
• a: 15.291 ± 0.005 Å
• b: 24.074 ± 0.009 Å
• c: 24.824 ± 0.009 Å
• α: 90°
• β: 90.017 ± 0.009°
• γ: 90°
• Cell volume: 9138 ± 6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.156
• Residual factor for significantly intense reflections: 0.1052
• Weighted residual factors for significantly intense reflections: 0.2919
• Weighted residual factors for all reflections included in the refinement: 0.3302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No