Information card for entry 1553621

Structure parameters

• Formula: C60 H28 F20 N6 O2
• Calculated formula: C60 H28 F20 N6 O2
• Title of publication: 1,3-Dipolar cycloadditions with meso-tetraarylchlorins ‒ site selectivity and mixed bisadducts
• Authors of publication: Almeida, José; Aguiar, António; Leite, Andreia; Silva, André M. N.; Cunha-Silva, Luís; de Castro, Baltazar; Rangel, Maria; Barone, Giampaolo; Tomé, Augusto C.; Silva, Ana M. G.
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 4
• Pages of publication: 534
• a: 12.4994 ± 0.0013 Å
• b: 13.1859 ± 0.0014 Å
• c: 16.0253 ± 0.0017 Å
• α: 102.651 ± 0.005°
• β: 95.439 ± 0.006°
• γ: 92.29 ± 0.006°
• Cell volume: 2560.5 ± 0.5 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.1877
• Residual factor for significantly intense reflections: 0.1387
• Weighted residual factors for significantly intense reflections: 0.4059
• Weighted residual factors for all reflections included in the refinement: 0.434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.614
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No