Information card for entry 4030369

Structure parameters

• Formula: C44 H27 N5 Ni O2
• Calculated formula: C44 H27 N5 Ni O2
• Title of publication: Mono- and Bisquinoline-Annulated Porphyrins from Porphyrin β,β'-Dione Oximes.
• Authors of publication: Akhigbe, Joshua; Luciano, Michael; Zeller, Matthias; Brückner, Christian
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 80
• Journal issue: 1
• Pages of publication: 499
• a: 15.424 ± 0.002 Å
• b: 15.424 ± 0.002 Å
• c: 13.692 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3257.3 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1318
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.1478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No