Information card for entry 4029319

Structure parameters

• Formula: C30 H30 N4 O2 Pd
• Calculated formula: C30 H30 N4 O2 Pd
• Title of publication: Synthesis, Structural Characterization, Aromatic Characteristics, and Metalation of Neo-Confused Porphyrins, a Newly Discovered Class of Porphyrin Isomers.
• Authors of publication: Li, Ruoshi; Lammer, Aaron D.; Ferrence, Gregory M.; Lash, Timothy D.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 9
• Pages of publication: 4078 - 4093
• a: 8.1266 ± 0.0004 Å
• b: 10.9322 ± 0.0006 Å
• c: 14.5533 ± 0.0008 Å
• α: 105.58 ± 0.004°
• β: 91.632 ± 0.004°
• γ: 97.148 ± 0.004°
• Cell volume: 1233.16 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0793
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for all reflections included in the refinement: 0.1212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No