Information card for entry 4035907

Structure parameters

• Formula: C57 H26 Cl3 F20 N6 O6 Os
• Calculated formula: C57 H26 Cl3 F20 N6 O6 Os
• Title of publication: Bacterio- and Isobacteriodilactones by Stepwise or Direct Oxidations of meso-Tetrakis(pentafluorophenyl)porphyrin.
• Authors of publication: Hewage, Nisansala; Daddario, Pedro; Lau, Kimberly S. F.; Guberman-Pfeffer, Matthew J; Gascón, José A; Zeller, Matthias; Lee, Christal O.; Khalil, Gamal E.; Gouterman, Martin; Brückner, Christian
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 1
• Pages of publication: 239 - 256
• a: 13.336 ± 0.019 Å
• b: 15.94 ± 0.02 Å
• c: 16.02 ± 0.02 Å
• α: 63.58 ± 0.03°
• β: 87.24 ± 0.03°
• γ: 88.56 ± 0.03°
• Cell volume: 3046 ± 7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.231
• Residual factor for significantly intense reflections: 0.1458
• Weighted residual factors for significantly intense reflections: 0.3733
• Weighted residual factors for all reflections included in the refinement: 0.4484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No