Information card for entry 4023032

Structure parameters

• Chemical name: 5,10,15,20-tetratolyl-22,24-dioxadiazuliporphyrin
• Formula: C69 H53 O2
• Calculated formula: C69 H53 O2
• Title of publication: Dioxadiazuliporphyrin: A Near-IR Redox Switchable Chromophore
• Authors of publication: Natasza Sprutta; Marta Siczek; Lechosław Latos-Grażyński; Miłosz Pawlicki; Ludmiła Szterenberg; Tadeusz Lis
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 9501 - 9509
• a: 12.592 ± 0.005 Å
• b: 12.7 ± 0.005 Å
• c: 17.466 ± 0.007 Å
• α: 75.9 ± 0.04°
• β: 83.9 ± 0.04°
• γ: 67.09 ± 0.04°
• Cell volume: 2495.1 ± 1.7 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: 0.1011
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 0.859
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No