Information card for entry 7109630

Structure parameters

• Formula: C46 H49 Cl3 N6 O6
• Calculated formula: C46 H49 Cl3 N6 O6
• Title of publication: Synthesis of a neo-confused porphyrin and an unusual dihydroporphyrin derivative
• Authors of publication: Ruoshi Li; Gregory M. Ferrence; Timothy D. Lash
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 7537
• a: 12.2119 ± 0.0003 Å
• b: 14.9841 ± 0.0003 Å
• c: 15.3037 ± 0.0003 Å
• α: 63.927 ± 0.001°
• β: 73.114 ± 0.001°
• γ: 69.089 ± 0.001°
• Cell volume: 2319.71 ± 0.09 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: 0.0621
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections included in the refinement: 0.1564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No