Information card for entry 4036034

Structure parameters

• Formula: C221 H245 N8
• Calculated formula: C221 H245 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: 12.5978 ± 0.0015 Å
• b: 17.972 ± 0.002 Å
• c: 43.321 ± 0.005 Å
• α: 98.672 ± 0.01°
• β: 93.842 ± 0.009°
• γ: 105.443 ± 0.011°
• Cell volume: 9287 ± 2 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 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: 0.1971
• Residual factor for significantly intense reflections: 0.1299
• Weighted residual factors for significantly intense reflections: 0.3234
• Weighted residual factors for all reflections included in the refinement: 0.3778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.222
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No