Information card for entry 1503728

Structure parameters

• Formula: C46.6 H46.6 Cl1.8 N2 Pd
• Calculated formula: C46 H46 N2 Pd
• Title of publication: adj-Diazuliporphyrins, a new family of dicarbaporphyrinoids with unprecedented mesoionic characteristics.
• Authors of publication: Zhang, Zhenjun; Ferrence, Gregory M.; Lash, Timothy D.
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 1
• Pages of publication: 101 - 104
• a: 14.6447 ± 0.0017 Å
• b: 14.9621 ± 0.0017 Å
• c: 18.886 ± 0.002 Å
• α: 93.9934 ± 0.0017°
• β: 109.874 ± 0.002°
• γ: 90.8206 ± 0.0017°
• Cell volume: 3879.1 ± 0.8 ų
• Cell temperature: 173 ± 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 significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No