Information card for entry 4114735

Structure parameters

• Chemical name: 6,21-Di-p-tolyl-11,16-diphenyl-para-benziporphyrin
• Formula: C48 H35 N3
• Calculated formula: C48 H35 N3
• Title of publication: Tetraphenyl-p-benziporphyrin: A Carbaporphyrinoid with Two Linked Carbon Atoms in the Coordination Core
• Authors of publication: Marcin Stępień; Lechosław Latos-Grażyński
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 3838 - 3839
• a: 10.1121 ± 0.0006 Å
• b: 17.4856 ± 0.0007 Å
• c: 19.8355 ± 0.0011 Å
• α: 98.784 ± 0.004°
• β: 90.512 ± 0.004°
• γ: 94.789 ± 0.004°
• Cell volume: 3453.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0786
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1382
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No