Information card for entry 4036031

Structure parameters

• Formula: C188 H212 N8
• Calculated formula: C188 H212 N8
• Title of publication: Porphyrin-Hexaphenylbenzene Conjugates via Mixed Cyclotrimerization Reactions.
• Authors of publication: Martin, Max M.; Dill, Maximilian; Langer, Jens; Jux, Norbert
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 3
• Pages of publication: 1489 - 1499
• a: 13.98976 ± 0.00019 Å
• b: 20.6879 ± 0.0003 Å
• c: 34.2198 ± 0.0004 Å
• α: 88.085 ± 0.001°
• β: 82.746 ± 0.001°
• γ: 82.76 ± 0.001°
• Cell volume: 9744.7 ± 0.2 ų
• Cell temperature: 99.96 ± 0.17 K
• Ambient diffraction temperature: 99.96 ± 0.17 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: 0.0797
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.1812
• Weighted residual factors for all reflections included in the refinement: 0.1895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No