Information card for entry 7156223

Structure parameters

• Formula: C54 H52 N8
• Calculated formula: C54 H52 N8
• Title of publication: Push-pull quinoidal porphyrins.
• Authors of publication: Smith, Martin J.; Blake, Iain M.; Clegg, William; Anderson, Harry L.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 19
• Pages of publication: 3648 - 3654
• a: 34.85 ± 0.03 Å
• b: 13.785 ± 0.011 Å
• c: 40.21 ± 0.03 Å
• α: 90°
• β: 92.378 ± 0.01°
• γ: 90°
• Cell volume: 19301 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.2429
• Residual factor for significantly intense reflections: 0.1812
• Weighted residual factors for significantly intense reflections: 0.3842
• Weighted residual factors for all reflections included in the refinement: 0.4153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.6893 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No