Information card for entry 7101584

Structure parameters

• Formula: C43 H26 N4 Ni O
• Calculated formula: C43 H26 N4 Ni O
• Title of publication: Elucidation of the extraordinary 4-membered pyrrole ring-contracted azeteoporphyrinoid as an intermediate in chlorin oxidation
• Authors of publication: J.Zaleski; Tillmann Kopke; Maren Pink
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 47
• a: 14.6193 ± 0.0014 Å
• b: 16.3787 ± 0.0015 Å
• c: 14.8341 ± 0.0014 Å
• α: 90°
• β: 119.585 ± 0.002°
• γ: 90°
• Cell volume: 3088.9 ± 0.5 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No