Information card for entry 7124707

Structure parameters

• Formula: C47 H34 N6 O3
• Calculated formula: C47 H34 N6 O3
• Title of publication: Supersizing pyrrole-modified porphyrins by reversal of the 'breaking and mending' strategy.
• Authors of publication: Luciano, M.; Tardie, W.; Zeller, M.; Brückner, C
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 66
• Pages of publication: 10133 - 10136
• a: 26.853 ± 0.002 Å
• b: 10.1988 ± 0.001 Å
• c: 27.005 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7395.8 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.2411
• Residual factor for significantly intense reflections: 0.157
• Weighted residual factors for significantly intense reflections: 0.3456
• Weighted residual factors for all reflections included in the refinement: 0.4136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No